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GPCR

Name	Vasopressin V1b receptor
Species	Rattus norvegicus (Rat)
Gene	Avpr1b
Synonym	Vasopressin V3 receptor vasopressin V1b receptor V3/V1b pituitary vasopressin receptor V3 V1bR V1B receptor AVPR3 AVPR V3 AVPR V1b Antidiuretic hormone receptor 1b VPR3 [ Show all ]
Disease	N/A for non-human GPCRs
Length	425
Amino acid sequence	MNSEPSWTATPSPGGTLPVPNATTPWLGRDEELAKVEIGILATVLVLATGGNLAVLLTLGRHGHKRSRMHLFVLHLALTDLGVALFQVLPQLLWDITYRFQGSDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLRQPSQSTYPLIAAPWLLAAILSLPQVFIFSLREVIQGSGVLDCWADFYFSWGPRAYITWTTMAIFVLPVAVLSACYGLICHEIYKNLKVKTQAGREERRGWRTWDKSSSSAVATAATRGLPSRVSSISTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDENAPNEDSTNVAFTISMLLGNLSSCCNPWIYMGFNSRLLPRSLSHHACCTGSKPQVHRQLSTSSLTSRRTTLLTHACGSPTLRLSLNLSLRAKPRPAGSLKDLEQVDGEATMETSIF
UniProt	P48974
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	CHEMBL2659
IUPHAR	367
DrugBank	N/A

Ligand

Name	Nelivaptan
Molecular formula	C30H32ClN3O8S
IUPAC name	(2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
Molecular weight	630.109
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.4
Synonyms	3TY57MQ4OA D0SY9B NCGC00247960-01 SSR-149415 (2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide BDBM50299343 DSSTox_GSID_47358 Nelivaptan [INN] UNII-3TY57MQ4OA 1-(5-chloro-1-((2,4-dimethoxyphenyl)sulfonyl)-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl)-4-hydroxy-N,N-dimethyl-2-pyrrolidinecarboxamide CHEMBL582857 GTPL2202 SSR 149415 (2S,4R)-1-((3R)-5-Chloro-1-((2,4-dimethoxybenzene)sulfonyl)-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl)-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide 439687-69-1 DB12643 NCGC00254222-01 SSR149415 (2S,4R)-1-[(3R)-5-Chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-2,3-dihydro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethyl-2-pyrrolidinecarboxamide CAS-439687-69-1 DSSTox_RID_82294 SCHEMBL14517029 ZINC42833251 D08VYZ MolPort-042-665-640 SSR-149,415 (2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxyphenyl)-2-oxoindolin-3-yl)-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide DSSTox_CID_27358 Tox21_300240 (2S,4R)-1-[5-Chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxy-phenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,Ndimethyl-2-pyrrolidine carboxamide DTXSID7047358 SR-149415 [ Show all ]
Inchi Key	NJXZWIIMWNEOGJ-WEWKHQNJSA-N
Inchi ID	InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
PubChem CID	9895468
ChEMBL	CHEMBL582857
IUPHAR	2202
BindingDB	50299343
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.0 nM	PMID19800231, PMID21353540	BindingDB,ChEMBL
Ki	1.3 nM	PMID11861823	BindingDB
Ki	3.7 nM	PMID11861823	BindingDB

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