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Ligand

NameCHEMBL334777
Molecular formulaC32H28N2O4S
IUPAC name3-[(2R)-5-[4-[(2-phenylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-1,5-benzothiazepin-2-yl]propanoic acid
Molecular weight536.646
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.0
Synonyms3-((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-2-yl)-propionic acid
BDBM50135415
Inchi KeyBVJZPAJDRJEDNQ-RUZDIDTESA-N
Inchi IDInChI=1S/C32H28N2O4S/c35-30(36)19-18-25-20-21-34(28-12-6-7-13-29(28)39-25)32(38)23-14-16-24(17-15-23)33-31(37)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,37)(H,35,36)/t25-/m1/s1
PubChem CID44352768
ChEMBLCHEMBL334777
IUPHARN/A
BindingDB50135415
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33815Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
33814Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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