Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
1765 | 10589 | 98 | None | -22 | 8 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/acs.jmedchem.2c01632 | ||
4184 | 10589 | 98 | None | -22 | 8 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/acs.jmedchem.2c01632 | ||
9871419 | 10589 | 98 | None | -22 | 8 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/acs.jmedchem.2c01632 | ||
CHEMBL398435 | 10589 | 98 | None | -22 | 8 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/acs.jmedchem.2c01632 | ||
DB08816 | 10589 | 98 | None | -22 | 8 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/acs.jmedchem.2c01632 | ||
1713 | 7308 | 68 | None | -8 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | None | ||
5957 | 7308 | 68 | None | -8 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | None | ||
91 | 7308 | 68 | None | -8 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | None | ||
CHEMBL14249 | 7308 | 68 | None | -8 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | None | ||
DB00171 | 7308 | 68 | None | -8 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | None | ||
135973538 | 10482 | 33 | None | 2 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
1728 | 10482 | 33 | None | 2 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
2966 | 10482 | 33 | None | 2 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
4261196 | 10482 | 33 | None | 2 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
5361 | 10482 | 33 | None | 2 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
CHEMBL265502 | 10482 | 33 | None | 2 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
DB04786 | 10482 | 33 | None | 2 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
1776 | 7574 | 38 | None | -9 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | None | ||
5006 | 7574 | 38 | None | -9 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | None | ||
9854012 | 7574 | 38 | None | -9 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | None | ||
CHEMBL334966 | 7574 | 38 | None | -9 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | None | ||
DB06441 | 7574 | 38 | None | -9 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | None | ||
1764 | 6864 | 0 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | Guide to Pharmacology | 393 | 5 | 5 | 11 | -1.1 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O | 12815166 | ||
189762 | 6864 | 0 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | Guide to Pharmacology | 393 | 5 | 5 | 11 | -1.1 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O | 12815166 | ||
CHEMBL606240 | 6864 | 0 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | Guide to Pharmacology | 393 | 5 | 5 | 11 | -1.1 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O | 12815166 | ||
1755 | 7077 | 17 | None | -794 | 6 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
5310996 | 7077 | 17 | None | -794 | 6 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
CHEMBL335206 | 7077 | 17 | None | -794 | 6 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
136078744 | 9423 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | Guide to Pharmacology | 432 | 7 | 4 | 9 | 3.2 | OCc1c(COP(=O)(O)O)c(/N=N/c2cc(ccc2Cl)N(=O)=O)nc(c1O)C | 15913566 | ||
1777 | 9423 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | Guide to Pharmacology | 432 | 7 | 4 | 9 | 3.2 | OCc1c(COP(=O)(O)O)c(/N=N/c2cc(ccc2Cl)N(=O)=O)nc(c1O)C | 15913566 | ||
135545444 | 9431 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 430 | 7 | 3 | 8 | 1.6 | O=CC1=C(COP(=O)(O)O)/C(=N/Nc2ccc(c(c2)[N+](=O)[O-])Cl)/N=C(C1=O)C | 15913566 | ||
1778 | 9431 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 430 | 7 | 3 | 8 | 1.6 | O=CC1=C(COP(=O)(O)O)/C(=N/Nc2ccc(c(c2)[N+](=O)[O-])Cl)/N=C(C1=O)C | 15913566 | ||
1712 | 7076 | 69 | None | -7 | 6 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
6022 | 7076 | 69 | None | -7 | 6 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
CHEMBL14830 | 7076 | 69 | None | -7 | 6 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
1732 | 7238 | 0 | None | 3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 832 | 14 | 6 | 29 | -5.0 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)[O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
25243905 | 7238 | 0 | None | 3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 832 | 14 | 6 | 29 | -5.0 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)[O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
1711 | 6865 | 15 | None | -18 | 7 | Human | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 12815166 | ||
5310983 | 6865 | 15 | None | -18 | 7 | Human | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 12815166 | ||
CHEMBL336208 | 6865 | 15 | None | -18 | 7 | Human | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 12815166 | ||
1776 | 7574 | 38 | None | -9 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 12815166 | ||
5006 | 7574 | 38 | None | -9 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 12815166 | ||
9854012 | 7574 | 38 | None | -9 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 12815166 | ||
CHEMBL334966 | 7574 | 38 | None | -9 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 12815166 | ||
DB06441 | 7574 | 38 | None | -9 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 12815166 | ||
121990 | 6863 | 15 | None | 2 | 5 | Human | 9.0 | pIC50 | = | 9 | Functional | Guide to Pharmacology | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 12815166 | ||
1710 | 6863 | 15 | None | 2 | 5 | Human | 9.0 | pIC50 | = | 9 | Functional | Guide to Pharmacology | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 12815166 | ||
1763 | 6863 | 15 | None | 2 | 5 | Human | 9.0 | pIC50 | = | 9 | Functional | Guide to Pharmacology | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 12815166 | ||
CHEMBL435402 | 6863 | 15 | None | 2 | 5 | Human | 9.0 | pIC50 | = | 9 | Functional | Guide to Pharmacology | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 12815166 | ||
1725 | 9927 | 17 | None | -3 | 6 | Human | 4.9 | pIC50 | None | 4.9 | Functional | Guide to Pharmacology | 511 | 8 | 5 | 11 | 1.4 | O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C | 12815166 | ||
4881 | 9927 | 17 | None | -3 | 6 | Human | 4.9 | pIC50 | None | 4.9 | Functional | Guide to Pharmacology | 511 | 8 | 5 | 11 | 1.4 | O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C | 12815166 | ||
CHEMBL1437958 | 9927 | 17 | None | -3 | 6 | Human | 4.9 | pIC50 | None | 4.9 | Functional | Guide to Pharmacology | 511 | 8 | 5 | 11 | 1.4 | O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C | 12815166 | ||
CHEMBL69234 | 9927 | 17 | None | -3 | 6 | Human | 4.9 | pIC50 | None | 4.9 | Functional | Guide to Pharmacology | 511 | 8 | 5 | 11 | 1.4 | O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C | 12815166 | ||
1713 | 7308 | 68 | None | -8 | 10 | Human | 5.4 | pIC50 | None | 5.4 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
5957 | 7308 | 68 | None | -8 | 10 | Human | 5.4 | pIC50 | None | 5.4 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
91 | 7308 | 68 | None | -8 | 10 | Human | 5.4 | pIC50 | None | 5.4 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
CHEMBL14249 | 7308 | 68 | None | -8 | 10 | Human | 5.4 | pIC50 | None | 5.4 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
DB00171 | 7308 | 68 | None | -8 | 10 | Human | 5.4 | pIC50 | None | 5.4 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
1714 | 7309 | 0 | None | -79 | 3 | Human | 5.5 | pIC50 | None | 5.5 | Functional | Guide to Pharmacology | 519 | 8 | 3 | 18 | -4.0 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=S)([O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
44123300 | 7309 | 0 | None | -79 | 3 | Human | 5.5 | pIC50 | None | 5.5 | Functional | Guide to Pharmacology | 519 | 8 | 3 | 18 | -4.0 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=S)([O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
135973538 | 10482 | 33 | None | 2 | 10 | Human | 5.6 | pIC50 | None | 5.6 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 12815166 | ||
1728 | 10482 | 33 | None | 2 | 10 | Human | 5.6 | pIC50 | None | 5.6 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 12815166 | ||
2966 | 10482 | 33 | None | 2 | 10 | Human | 5.6 | pIC50 | None | 5.6 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 12815166 | ||
4261196 | 10482 | 33 | None | 2 | 10 | Human | 5.6 | pIC50 | None | 5.6 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 12815166 | ||
5361 | 10482 | 33 | None | 2 | 10 | Human | 5.6 | pIC50 | None | 5.6 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 12815166 | ||
CHEMBL265502 | 10482 | 33 | None | 2 | 10 | Human | 5.6 | pIC50 | None | 5.6 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 12815166 | ||
DB04786 | 10482 | 33 | None | 2 | 10 | Human | 5.6 | pIC50 | None | 5.6 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 12815166 | ||
136677322 | 10069 | 24 | None | -77 | 9 | Human | 5.7 | pIC50 | None | 5.7 | Functional | Guide to Pharmacology | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 12815166 | ||
1739 | 10069 | 24 | None | -77 | 9 | Human | 5.7 | pIC50 | None | 5.7 | Functional | Guide to Pharmacology | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 12815166 | ||
656725 | 10069 | 24 | None | -77 | 9 | Human | 5.7 | pIC50 | None | 5.7 | Functional | Guide to Pharmacology | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 12815166 | ||
CHEMBL1160031 | 10069 | 24 | None | -77 | 9 | Human | 5.7 | pIC50 | None | 5.7 | Functional | Guide to Pharmacology | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 12815166 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
135405867 | 91180 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 430 | 7 | 3 | 9 | 3.5 | Cc1nc(/N=N/c2cc([N+](=O)[O-])ccc2Cl)c(COP(=O)(O)O)c(C=O)c1O | 10.1021/acs.jmedchem.5b01972 | |||
CHEMBL2219665 | 91180 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 430 | 7 | 3 | 9 | 3.5 | Cc1nc(/N=N/c2cc([N+](=O)[O-])ccc2Cl)c(COP(=O)(O)O)c(C=O)c1O | 10.1021/acs.jmedchem.5b01972 | |||
1725 | 9927 | 17 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 511 | 8 | 5 | 11 | 1.4 | O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C | 10.1021/acs.jmedchem.5b01972 | |||
4881 | 9927 | 17 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 511 | 8 | 5 | 11 | 1.4 | O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C | 10.1021/acs.jmedchem.5b01972 | |||
CHEMBL1437958 | 9927 | 17 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 511 | 8 | 5 | 11 | 1.4 | O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C | 10.1021/acs.jmedchem.5b01972 | |||
CHEMBL69234 | 9927 | 17 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 511 | 8 | 5 | 11 | 1.4 | O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C | 10.1021/acs.jmedchem.5b01972 | |||
136677322 | 10069 | 24 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10.1021/acs.jmedchem.5b01972 | |||
1739 | 10069 | 24 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10.1021/acs.jmedchem.5b01972 | |||
656725 | 10069 | 24 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10.1021/acs.jmedchem.5b01972 | |||
CHEMBL1160031 | 10069 | 24 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10.1021/acs.jmedchem.5b01972 | |||
135973538 | 10482 | 33 | None | - | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/acs.jmedchem.5b01972 | |||
1728 | 10482 | 33 | None | - | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/acs.jmedchem.5b01972 | |||
2966 | 10482 | 33 | None | - | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/acs.jmedchem.5b01972 | |||
4261196 | 10482 | 33 | None | - | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/acs.jmedchem.5b01972 | |||
5361 | 10482 | 33 | None | - | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/acs.jmedchem.5b01972 | |||
CHEMBL265502 | 10482 | 33 | None | - | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/acs.jmedchem.5b01972 | |||
DB04786 | 10482 | 33 | None | - | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/acs.jmedchem.5b01972 | |||
CHEMBL5281019 | 200874 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 430 | 7 | 3 | 9 | 3.5 | Cc1nc(/N=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(COP(=O)(O)O)c(C=O)c1O | 10.1021/acs.jmedchem.5b01972 |