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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL1807281
Molecular formula	C23H26Cl2N2O3
IUPAC name	(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(2-hydroxycyclohexyl)propanamide
Molecular weight	449.372
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	4.4
Synonyms	BDBM50418914
Inchi Key	CGKHAKNUNHIBMG-NYLDSWQDSA-N
Inchi ID	InChI=1S/C23H26Cl2N2O3/c24-17-9-5-15(6-10-17)13-20(23(30)27-19-3-1-2-4-21(19)28)26-22(29)14-16-7-11-18(25)12-8-16/h5-12,19-21,28H,1-4,13-14H2,(H,26,29)(H,27,30)/t19?,20-,21?/m1/s1
PubChem CID	56663273
ChEMBL	CHEMBL1807281
IUPHAR	N/A
BindingDB	50418914
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.2089 nM	PMID21700453	ChEMBL
Ki	0.209 nM	PMID21700453	BindingDB
Ki	9.33 nM	PMID21700453	BindingDB
Ki	9.333 nM	PMID21700453	ChEMBL

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