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Ligand

NameCHEMBL601929
Molecular formulaC32H37ClN6O2S
IUPAC name(2S)-N-[[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]methyl]-2-(4-methyl-1,4-diazepane-1-carbothioyl)pyrrolidine-1-carboxamide
Molecular weight605.198
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
Synonyms(2S)-N-[3-Chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)benzyl]-2-[(4-methyl-1,4-diazepan-1-yl)-carbonothioyl]pyrrolidine-1-carboxamide
BDBM50307110
Inchi KeyCQQCQRQIFMWQMH-LJAQVGFWSA-N
Inchi IDInChI=1S/C32H37ClN6O2S/c1-35-13-6-15-36(18-17-35)31(42)29-10-5-16-38(29)32(41)34-20-23-11-12-26(27(33)19-23)30(40)39-22-25-8-4-14-37(25)21-24-7-2-3-9-28(24)39/h2-4,7-9,11-12,14,19,29H,5-6,10,13,15-18,20-22H2,1H3,(H,34,41)/t29-/m0/s1
PubChem CID45103786
ChEMBLCHEMBL601929
IUPHARN/A
BindingDB50307110
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
48326Oxytocin receptorP30559OXTRHomo sapiens (Human)389
48324Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
48325Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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