PDB
7INF
Resolution
2.3 Å
Released
May 20, 2026
Receptor
A2A
Class
A
Species
Homo sapiens
Ligands
2,4-difluorobenzene-1-carbothioamide
theophylline
Function
Unknown
Antagonist
Reference
—
2,4-difluorobenzene-1-carbothioamide theophylline

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Ligand Amino Acid Generic Number Segment Interaction Type
2,4-difluorobenzene-1-carbothioamide N42 2.40x40 TM2 polar (hydrogen bond)
2,4-difluorobenzene-1-carbothioamide N42 2.40x40 TM2 polar (hydrogen bond)
2,4-difluorobenzene-1-carbothioamide V45 2.43x43 TM2 Van der Waals
2,4-difluorobenzene-1-carbothioamide V45 2.43x43 TM2 hydrophobic
theophylline F168 45.52x52 ECL2 aromatic (face-to-face)
2,4-difluorobenzene-1-carbothioamide A231 6.33x33 TM6 Van der Waals
2,4-difluorobenzene-1-carbothioamide A235 6.37x37 TM6 Van der Waals
2,4-difluorobenzene-1-carbothioamide 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
2,4-difluorobenzene-1-carbothioamide Y288 7.53x53 TM7 Van der Waals
2,4-difluorobenzene-1-carbothioamide Y288 7.53x53 TM7 hydrophobic
2,4-difluorobenzene-1-carbothioamide I292 8.47x47 H8 hydrophobic
2,4-difluorobenzene-1-carbothioamide I292 8.47x47 H8 Van der Waals

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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
2x40 2.40x40 N42
2x43 2.43x43 V45
ECL2
45x52 45.52x52 F168
TM6
6x33 6.33x33 A231
6x37 6.37x37 L235
6x51 6.51x51 L249
6x55 6.55x55 N253
TM7
7x38 7.39x38 I274
7x53 7.53x53 Y288
H8
8x47 8.47x47 I292