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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	CHEMBL1223814
Molecular formula	C27H32N4O4
IUPAC name	N-(cyclopropylmethyl)-2-[6-(3-morpholin-4-ylpropoxy)-4-oxo-2-phenylquinazolin-3-yl]acetamide
Molecular weight	476.577
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.6
Synonyms	BDBM50325847 N-(cyclopropylmethyl)-2-(6-(3-morpholinopropoxy)-4-oxo-2-phenylquinazolin-3(4H)-yl)acetamide
Inchi Key	VEDIIFYRKAULFT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H32N4O4/c32-25(28-18-20-7-8-20)19-31-26(21-5-2-1-3-6-21)29-24-10-9-22(17-23(24)27(31)33)35-14-4-11-30-12-15-34-16-13-30/h1-3,5-6,9-10,17,20H,4,7-8,11-16,18-19H2,(H,28,32)
PubChem CID	46934434
ChEMBL	CHEMBL1223814
IUPHAR	N/A
BindingDB	50325847
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	6.0 %	PMID20719508	ChEMBL

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