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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.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL1632048
Molecular formula	C13H16N2OS
IUPAC name	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
Molecular weight	248.344
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.7
Synonyms	ST50183897 N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-2-methylpropanamide SR-01000488059 BDBM50365989 MCULE-9826253071 STK390081 N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide AC1LE3BN SR-01000488059-1 MolPort-001-501-327 ZINC141554 Oprea1_543734 AKOS001659463 [ Show all ]
Inchi Key	WEQBJUFKTHOGLQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H16N2OS/c1-8(2)12(16)15-13-10(7-14)9-5-3-4-6-11(9)17-13/h8H,3-6H2,1-2H3,(H,15,16)
PubChem CID	729610
ChEMBL	CHEMBL1632048
IUPHAR	N/A
BindingDB	50365989
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	3400.0 nM	PMID22365758	BindingDB,ChEMBL

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