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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	CHEMBL432009
Molecular formula	C36H34ClN3O2
IUPAC name	N-[4-[(12S)-6-chloro-2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-4(9),5,7-triene-10-carbonyl]phenyl]-2-(4-methylphenyl)benzamide
Molecular weight	576.137
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	7.4
Synonyms	BDBM50119808 N-[4-[[(6aS)-2-Chloro-7,10-ethano-5,6,6abeta,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepine-5-yl]carbonyl]phenyl]-4'-methylbiphenyl-2-carboxamide 1N-{4-[6-chloro-16-ethyl-(12S)-2,10-diazatetracyclo[11.2.1.02,12.04,9]hexadeca-4(9),5,7-trien-10-ylcarbonyl]phenyl}-2-(4-methylphenyl)benzamide SCHEMBL5525159
Inchi Key	AKOQGOCLYOOSEU-UOTLIPSBSA-N
Inchi ID	InChI=1S/C36H34ClN3O2/c1-23-6-8-24(9-7-23)31-4-2-3-5-32(31)35(41)38-29-15-10-26(11-16-29)36(42)40-22-34-25-12-17-30(18-13-25)39(34)21-27-20-28(37)14-19-33(27)40/h2-11,14-16,19-20,25,30,34H,12-13,17-18,21-22H2,1H3,(H,38,41)/t25?,30?,34-/m1/s1
PubChem CID	44335241
ChEMBL	CHEMBL432009
IUPHAR	N/A
BindingDB	50119808
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	59.0 nM	PMID12372506	BindingDB
IC50	59.0 nM	PMID12372506	ChEMBL

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