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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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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Vasopressin V1a receptor
Species	Rattus norvegicus (Rat)
Gene	Avpr1a
Synonym	AVPR AVPR V1a AVPR1 antidiuretic hormone receptor 1a V1A receptor V1aR Vascular/hepatic-type arginine vasopressin receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	424
Amino acid sequence	MSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFILSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGFICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFIPVST
UniProt	P30560
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2868
IUPHAR	366
DrugBank	N/A

Ligand

Name	CHEMBL2372419
Molecular formula	C53H70N14O11S2
IUPAC name	(2S)-N-[(2S)-6-amino-1-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-16-[(4-azidophenyl)methyl]-13-benzyl-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular weight	1143.35
Hydrogen bond acceptor	16
Hydrogen bond donor	11
XlogP	2.0
Synonyms	1-[16-(4-Azido-benzyl)-13-benzyl-7-carbamoylmethyl-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carboxylic acid {5-amino-1-[1-carbamoyl-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-pentyl}-amide BDBM50008091
Inchi Key	FCBIPYLHWSAESG-VSANGWNWSA-N
Inchi ID	InChI=1S/C53H70N14O11S2/c1-30(2)45-52(77)62-40(28-43(55)69)49(74)63-41(53(78)67-23-8-12-42(67)51(76)59-36(11-6-7-22-54)47(72)60-37(46(56)71)25-33-15-19-35(68)20-16-33)29-80-79-24-21-44(70)58-38(27-32-13-17-34(18-14-32)65-66-57)48(73)61-39(50(75)64-45)26-31-9-4-3-5-10-31/h3-5,9-10,13-20,30,36-42,45,68H,6-8,11-12,21-29,54H2,1-2H3,(H2,55,69)(H2,56,71)(H,58,70)(H,59,76)(H,60,72)(H,61,73)(H,62,77)(H,63,74)(H,64,75)/t36-,37+,38-,39-,40-,41-,42-,45-/m0/s1
PubChem CID	73350269
ChEMBL	CHEMBL2372419
IUPHAR	N/A
BindingDB	50008091
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	4.898 nM	PMID1732523	ChEMBL
Kd	5.0 nM	PMID1732523	BindingDB,ChEMBL
RA	13.0 %	PMID1732523	ChEMBL

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