PDB
7INC
Resolution
2.2 Å
Released
May 20, 2026
Receptor
A2A
Class
A
Species
Homo sapiens
Ligands
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol
theophylline
Function
Unknown
Antagonist
Reference
—
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol theophylline

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Ligand Amino Acid Generic Number Segment Interaction Type
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol N39 2.37x37 TM2 polar (hydrogen bond)
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol N39 2.37x37 TM2 Van der Waals
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol T41 2.39x39 TM2 Van der Waals
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol N42 2.40x40 TM2 Van der Waals
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol N42 2.40x40 TM2 polar (hydrogen bond)
theophylline F168 45.52x52 ECL2 aromatic (face-to-face)
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol A231 6.33x33 TM6 Van der Waals
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol A231 6.33x33 TM6 hydrophobic
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol S234 6.36x36 TM6 Van der Waals
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol A235 6.37x37 TM6 Van der Waals
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol A235 6.37x37 TM6 hydrophobic
theophylline L249 6.51x51 TM6 hydrophobic
theophylline N253 6.55x55 TM6 polar (hydrogen bond)
theophylline N253 6.55x55 TM6 polar (hydrogen bond)
theophylline I274 7.39x38 TM7 Van der Waals
theophylline I274 7.39x38 TM7 hydrophobic
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol I292 8.47x47 H8 Van der Waals
(1R)-1-(1H-1,3-benzimidazol-2-yl)ethan-1-ol I292 8.47x47 H8 hydrophobic

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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
TM2
2x37 2.37x37 N39
2x39 2.39x39 T41
2x40 2.40x40 N42
ECL2
45x52 45.52x52 F168
TM6
6x33 6.33x33 A231
6x36 6.36x36 S234
6x37 6.37x37 L235
6x51 6.51x51 L249
6x55 6.55x55 N253
TM7
7x38 7.39x38 I274
H8
8x47 8.47x47 I292