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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	61627-58-5
Molecular formula	C12H14N2OS
IUPAC name	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
Molecular weight	234.317
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.1
Synonyms	AK167271 DTXSID70355635 N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)propanamide ST50005659 BDBM50365988 MCULE-4427917380 Oprea1_734257 ZINC322143 AC1LFXM0 CTK2D5987 N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide SR-01000359656 AKOS000563028 HMS1676H02 N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)propionamide STK947776 MolPort-000-916-144 Propanamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)- AH-034/08840045 DS-9463 N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-propionamide SR-01000359656-1 BAS 00888585 KS-00000SVS Oprea1_726323 Z27369008 CHEMBL1956428 N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)propanamide SCHEMBL11369250 [ Show all ]
Inchi Key	CIQULTXYCPXNMG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H14N2OS/c1-2-11(15)14-12-9(7-13)8-5-3-4-6-10(8)16-12/h2-6H2,1H3,(H,14,15)
PubChem CID	810647
ChEMBL	CHEMBL1956428
IUPHAR	N/A
BindingDB	50365988
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	12000.0 nM	PMID22365758	BindingDB,ChEMBL

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