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Ligand

NameCHEMBL3959210
Molecular formulaC14H18ClN5O3
IUPAC name(1R,2R,3S,4R,5S)-4-[2-chloro-6-(dimethylamino)purin-9-yl]-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol
Molecular weight339.78
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP0.3
SynonymsBDBM50199474
Inchi KeyBSBLYPMZOLQTAO-RUVJYUCVSA-N
Inchi IDInChI=1S/C14H18ClN5O3/c1-19(2)11-7-12(18-13(15)17-11)20(5-16-7)8-6-3-14(6,4-21)10(23)9(8)22/h5-6,8-10,21-23H,3-4H2,1-2H3/t6-,8-,9+,10+,14+/m1/s1
PubChem CID134155462
ChEMBLCHEMBL3959210
IUPHARN/A
BindingDB50199474
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 13
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GLASS IDNameUniProtGeneSpeciesLength
5482405-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5482365-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
5482435-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
5482375-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
5482395-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5482355-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5482455-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5482385-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
5482445-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
5482425-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5482335-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
548241Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
548234Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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