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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.
Go to the GPCR page and check other ligands which interact with it.
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GPCR

Name	Vasoactive intestinal polypeptide receptor 1
Species	Rattus norvegicus (Rat)
Gene	Vipr1
Synonym	VIP-R1 VIP-R-1 VIP and PACAP receptor 1 RDC1 PVR2 Pituitary adenylate cyclase-activating polypeptide type II receptor PACAP-R2 PACAP-R-2 PACAP type II receptor HVR1 VPAC1 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	459
Amino acid sequence	MRPPSPPHVRWLCVLAGALACALRPAGSQAASPQHECEYLQLIEIQRQQCLEEAQLENETTGCSKMWDNLTCWPTTPRGQAVVLDCPLIFQLFAPIHGYNISRSCTEEGWSQLEPGPYHIACGLNDRASSLDEQQQTKFYNTVKTGYTIGYSLSLASLLVAMAILSLFRKLHCTRNYIHMHLFMSFILRATAVFIKDMALFNSGEIDHCSEASVGCKAAVVFFQYCVMANFFWLLVEGLYLYTLLAVSFFSERKYFWGYILIGWGVPSVFITIWTVVRIYFEDFGCWDTIINSSLWWIIKAPILLSILVNFVLFICIIRILVQKLRPPDIGKNDSSPYSRLAKSTLLLIPLFGIHYVMFAFFPDNFKAQVKMVFELVVGSFQGFVVAILYCFLNGEVQAELRRKWRRWHLQGVLGWSSKSQHPWGGSNGATCSTQVSMLTRVSPSARRSSSFQAEVSLV
UniProt	P30083
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	CHEMBL1955712
IUPHAR	371
DrugBank	N/A

Ligand

Name	CHEMBL1956429
Molecular formula	C14H18N2OS
IUPAC name	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylbutanamide
Molecular weight	262.371
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.9
Synonyms	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylbutanamide Oprea1_473484 AKOS000505199 N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-3-methyl-butyramide SCHEMBL3279207 BAS 00604736 AC1LFB1O Oprea1_226608 ZINC306528 BDBM50365990 [ Show all ]
Inchi Key	DWHGCYTUJJWHCM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H18N2OS/c1-9(2)7-13(17)16-14-11(8-15)10-5-3-4-6-12(10)18-14/h9H,3-7H2,1-2H3,(H,16,17)
PubChem CID	800118
ChEMBL	CHEMBL1956429
IUPHAR	N/A
BindingDB	50365990
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1900.0 nM	PMID22365758	BindingDB,ChEMBL

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