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Ligand

NameCHEMBL1779406
Molecular formulaC34H39ClN4O6S
IUPAC name(2S)-1-[(3R)-5-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
Molecular weight667.218
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.7
Synonyms(S)-1-((R)-5-chloro-3-(2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl)-1-(4-methoxyphenylsulfonyl)-2-oxoindolin-3-yl)-N,N-dimethylpyrrolidine-2-carboxamide
BDBM50345130
Inchi KeyBJPPSTZIMCILME-NHZFLZHXSA-N
Inchi IDInChI=1S/C34H39ClN4O6S/c1-36(2)32(40)30-8-7-19-38(30)34(27-15-9-23(20-31(27)45-4)22-37-17-5-6-18-37)28-21-24(35)10-16-29(28)39(33(34)41)46(42,43)26-13-11-25(44-3)12-14-26/h9-16,20-21,30H,5-8,17-19,22H2,1-4H3/t30-,34-/m0/s1
PubChem CID54584478
ChEMBLCHEMBL1779406
IUPHARN/A
BindingDB50345130
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25349Oxytocin receptorP30559OXTRHomo sapiens (Human)389
25350Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
25351Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424
25352Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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