PDB
7INP
Resolution
2.2 Å
Released
May 20, 2026
Receptor
A2A
Class
A
Species
Homo sapiens
Ligands
Function
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL
Unknown
theophylline
Antagonist
Reference
10.1038/S42004-026-02059-7
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL theophylline

NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file
Download list in excel
Ligand Amino Acid Generic Number Segment Interaction Type
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL L37 12.50x50 ICL1 Van der Waals
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL N39 2.37x37 TM2 polar (hydrogen bond)
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL T41 2.39x39 TM2 Van der Waals
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL N42 2.40x40 TM2 polar (hydrogen bond)
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL V45 2.43x43 TM2 Van der Waals
theophylline V84 3.32x32 TM3 Van der Waals
theophylline L85 3.33x33 TM3 Van der Waals
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL R102 3.50x50 TM3 Van der Waals
theophylline F168 45.52x52 ECL2 aromatic (face-to-face)
theophylline E169 ECL2 Van der Waals
theophylline M177 5.38x40 TM5 Van der Waals
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL A231 6.33x33 TM6 hydrophobic
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL S234 6.36x36 TM6 Van der Waals
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL A235 6.37x37 TM6 hydrophobic
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL I238 6.40x40 TM6 Van der Waals
theophylline W246 6.48x48 TM6 Van der Waals
theophylline L249 6.51x51 TM6 Van der Waals
theophylline N253 6.55x55 TM6 polar (hydrogen bond)
theophylline N253 6.55x55 TM6 polar (hydrogen bond)
theophylline M270 7.35x34 TM7 Van der Waals
theophylline I274 7.39x38 TM7 Van der Waals
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL Y288 7.53x53 TM7 hydrophobic
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL I292 8.47x47 H8 hydrophobic
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL F295 8.50x50 H8 Van der Waals

NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file

NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file

Snake plot — Download: PNG | SVG
ICL1 S N L Q ICL1ECL1 F C A ECL1ICL2 P L R Y N G L V ICL2ECL2 W N N C G Q P K E G K N H S Q G C G E G Q V A C L F E D V V ECL2ICL3 Q P L P G ICL3ECL3 P D C S H A ECL3C-term K A A G T S A R V L A A H G S D G E Q V S L R L N G H P P G V W A N G S A P H P E R R P N G Y A L G L V S G G S A Q E S Q G N T G L P D V E L L S H E L K G V C P E P P G L D D P L A Q D G A G V S C-term M P I M G S S V Y I T V E L A I A V L A I L G N V L V C W A V W L N N V T N Y F V V S L A A A D I A V G V L A I P F A I T I S T G A C H G C L F I A C F V L V L T Q S S I F S L L A I A I D R Y I A I R I T G T R A K G I I A I C W V L S F A I G L T P M L G P M N Y M V Y F N F F A C V L V P L L L M L G V Y L R I F L A A R R Q L K Q M E S E R A R S T L Q K E V H A A K S L A I I V G L F A L C W L P L H I I N C F T F F C P L W L M Y L A I V L S H T N S V V N P F I Y A Y R I R E F R K H V L P F F R Q T I I R S R Q Q E
Helix box plot — Download: PNG | SVG V N G L I A L V A I A L E V T I Y V S S 1 V S L A A A D I A V G L V A I P F A I T I 2 A L L S F I S S Q T L V L V F C A I F L 3 A K G I I A I C W V L S F A I G L T P M 4 Y V G L M L L L P V L V C A F F N F Y V M Y 5 A I I V G L F A L C W L P L H I I N C F 6 F P N V V S N T H S L V I A L Y M L W 7

GPCRdb(A)
GPCRdb(A)
A2A receptor
ICL1
12x50 12.50x50 L37
TM2
2x37 2.37x37 N39
2x39 2.39x39 T41
2x40 2.40x40 N42
2x43 2.43x43 V45
TM3
3x32 3.32x32 V84
3x33 3.33x33 L85
3x50 3.50x50 R102
ECL2
45x52 45.52x52 F168
TM5
5x40 5.38x40 M177
TM6
6x33 6.33x33 A231
6x36 6.36x36 S234
6x37 6.37x37 L235
6x40 6.40x40 I238
6x48 6.48x48 W246
6x51 6.51x51 L249
6x55 6.55x55 N253
TM7
7x34 7.35x34 M270
7x38 7.39x38 I274
7x53 7.53x53 Y288
H8
8x47 8.47x47 I292
8x50 8.50x50 F295