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Ligand

Name50908-62-8
Molecular formulaC13H16N6O4
IUPAC name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight320.309
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-0.5
SynonymsKB-41095
b-D-Ribofuranuronamide,1-(6-amino-9H-purin-9-yl)-N-cyclopropyl-1-deoxy-
PDSP2_000987
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide
CHEMBL261482
[ Show all ]
Inchi KeyMYNRELUCFAQMFC-QRIDJOKKSA-N
Inchi IDInChI=1S/C13H16N6O4/c14-10-6-11(16-3-15-10)19(4-17-6)13-8(21)7(20)9(23-13)12(22)18-5-1-2-5/h3-5,7-9,13,20-21H,1-2H2,(H,18,22)(H2,14,15,16)/t7-,8+,9-,13+/m0/s1
PubChem CID10403711
ChEMBLCHEMBL261482
IUPHARN/A
BindingDB50389797
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: 20
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
2172722-oxoglutarate receptor 1Q6Y1R5Oxgr1Rattus norvegicus (Rat)337
5416965-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5416985-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
5416955-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
5416995-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
5416905-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5417005-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5416945-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5416935-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
5416925-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
5416975-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5416915-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
217266Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
217268Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
217269Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
217270Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
217271Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
217267Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
217265Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
450256Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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