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Ligand

NameCHEMBL256520
Molecular formulaC26H27ClN6O5
IUPAC name6-[3-[[[2-chloro-9-[(1S,2R,3S,4R,5S)-3,4-dihydroxy-5-(methylcarbamoyl)-2-bicyclo[3.1.0]hexanyl]purin-6-yl]amino]methyl]phenyl]hex-5-ynoic acid
Molecular weight538.989
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP1.9
SynonymsBDBM50377685
Inchi KeyHQMYBQYXNBGGQE-LXILBCFHSA-N
Inchi IDInChI=1S/C26H27ClN6O5/c1-28-24(38)26-11-16(26)19(20(36)21(26)37)33-13-30-18-22(31-25(27)32-23(18)33)29-12-15-8-5-7-14(10-15)6-3-2-4-9-17(34)35/h5,7-8,10,13,16,19-21,36-37H,2,4,9,11-12H2,1H3,(H,28,38)(H,34,35)(H,29,31,32)/t16-,19-,20+,21+,26+/m1/s1
PubChem CID44448979
ChEMBLCHEMBL256520
IUPHARN/A
BindingDB50377685
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
121532Adenosine receptor A1Q60612Adora1Mus musculus (Mouse)326
121533Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
121530Adenosine receptor A2aQ60613Adora2aMus musculus (Mouse)410
121531Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
121529Adenosine receptor A3Q61618Adora3Mus musculus (Mouse)319
446470Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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