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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Molecular formula	C11H12N2OS
IUPAC name	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Molecular weight	220.29
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.6
Synonyms	CBMicro_004847 MolPort-000-225-166 SBB017243 T6998 AKOS000281636 CHEMBL1412798 N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-acetamide SMSF0003288 AC1L6DFB BBL000249 MCULE-5607866343 NSC-153320 ST073093 acetamide, n-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)- Cambridge id 5107418 CCG-139105 N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide SCHEMBL3277689 Z27368962 20036-97-9 ALBB-020536 EU-0067567 N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide SR-01000395247 AC1Q1KHE BDBM50365987 CB06824 MLS000523632 NSC153320 STK281735 AE-641/01956037 SMR000122705 ZINC40374 BAS 00888582 HMS2368B10 N-(3-cyano-4,5,6,7-tetrahydro[1]benzothien-2-yl)acetamide SR-01000395247-1 AC1Q4RA0 BIM-0004837.P001 [ Show all ]
Inchi Key	PMJUHOMXJHGRKV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H12N2OS/c1-7(14)13-11-9(6-12)8-4-2-3-5-10(8)15-11/h2-5H2,1H3,(H,13,14)
PubChem CID	290230
ChEMBL	CHEMBL1412798
IUPHAR	N/A
BindingDB	50365987
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	13000.0 nM	PMID22365758	BindingDB,ChEMBL

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