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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
225253	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
225256	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
225251	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
556368	Vasopressin V1a receptor	P30560	Avpr1a	Rattus norvegicus (Rat)	424
225254	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424
225255	Vasopressin V1b receptor	P48974	Avpr1b	Rattus norvegicus (Rat)	425
225252	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371
225257	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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