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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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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	CHEMBL1956433
Molecular formula	C18H18N2OS
IUPAC name	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide
Molecular weight	310.415
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.5
Synonyms	AB00079572-01 SR-01000397774 BAS 00355735 MolPort-001-021-068 STK412978 Cambridge id 5304118 N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide ZINC244954 AC1LG9E2 KB-117958 SR-01000397774-1 BBL028819 N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-3-phenylpropanamide T8789 N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-3-phenyl-propionamide AKOS000576588 MCULE-5854778846 ST50908590 BDBM50365996 N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-phenylpropanamide Z27369043 [ Show all ]
Inchi Key	JFULSLXRHNJOEO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18N2OS/c19-12-15-14-8-4-5-9-16(14)22-18(15)20-17(21)11-10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11H2,(H,20,21)
PubChem CID	767327
ChEMBL	CHEMBL1956433
IUPHAR	N/A
BindingDB	50365996
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	290.0 nM	PMID22365758	BindingDB,ChEMBL

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