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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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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	BAS 00888585 KS-00000SVS Oprea1_726323 Z27369008 CHEMBL1956428 N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)propanamide SCHEMBL11369250 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 [ 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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