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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Vasopressin V1a receptor
Species	Homo sapiens (Human)
Gene	AVPR1A
Synonym	AVPR V1a AVPR Antidiuretic hormone receptor 1a AVPR1 V1A receptor V1aR Vascular/hepatic-type arginine vasopressin receptor [ Show all ]
Disease	Euvolemic hyponatremia Hyponatraemia Dysmenorrhea Cardiotonic Infertility Localisation Autism Anxiety disorder Septic shock Acute and chronic heart failure Hypertension [ Show all ]
Length	418
Amino acid sequence	MRLSAGPDAGPSGNSSPWWPLATGAGNTSREAEALGEGNGPPRDVRNEELAKLEIAVLAVTFAVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQMCWDITYRFRGPDWLCRVVKHLQVFGMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAAAWVLSFVLSTPQYFVFSMIEVNNVTKARDCWATFIQPWGSRAYVTWMTGGIFVAPVVILGTCYGFICYNIWCNVRGKTASRQSKGAEQAGVAFQKGFLLAPCVSSVKSISRAKIRTVKMTFVIVTAYIVCWAPFFIIQMWSVWDPMSVWTESENPTITITALLGSLNSCCNPWIYMFFSGHLLQDCVQSFPCCQNMKEKFNKEDTDSMSRRQTFYSNNRSPTNSTGMWKDSPKSSKSIKFIPVST
UniProt	P37288
Protein Data Bank	N/A
GPCR-HGmod model	P37288
3D structure model	This predicted structure model is from GPCR-EXP P37288.
BioLiP	N/A
Therapeutic Target Database	T79232
ChEMBL	CHEMBL1889
IUPHAR	366
DrugBank	BE0000165

Ligand

Name	CHEMBL334363
Molecular formula	C31H26F2N2O2S
IUPAC name	N-[4-[2-(2,2-difluoroethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
Molecular weight	528.618
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	7.3
Synonyms	BDBM50135422 Biphenyl-2-carboxylic acid {4-[2-(2,2-difluoro-ethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazepine-5-carbonyl]-phenyl}-amide
Inchi Key	CSMQABFHHCZJMM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H26F2N2O2S/c32-29(33)20-24-18-19-35(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)34-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24,29H,18-20H2,(H,34,36)
PubChem CID	44352767
ChEMBL	CHEMBL334363
IUPHAR	N/A
BindingDB	50135422
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	160.0 nM	PMID14592501	BindingDB,ChEMBL

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