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GPCR

NameVasoactive intestinal polypeptide receptor 1
SpeciesRattus norvegicus (Rat)
GeneVipr1
SynonymVIP-R1
VIP-R-1
VIP and PACAP receptor 1
RDC1
PVR2
[ Show all ]
DiseaseN/A for non-human GPCRs
Length459
Amino acid sequenceMRPPSPPHVRWLCVLAGALACALRPAGSQAASPQHECEYLQLIEIQRQQCLEEAQLENETTGCSKMWDNLTCWPTTPRGQAVVLDCPLIFQLFAPIHGYNISRSCTEEGWSQLEPGPYHIACGLNDRASSLDEQQQTKFYNTVKTGYTIGYSLSLASLLVAMAILSLFRKLHCTRNYIHMHLFMSFILRATAVFIKDMALFNSGEIDHCSEASVGCKAAVVFFQYCVMANFFWLLVEGLYLYTLLAVSFFSERKYFWGYILIGWGVPSVFITIWTVVRIYFEDFGCWDTIINSSLWWIIKAPILLSILVNFVLFICIIRILVQKLRPPDIGKNDSSPYSRLAKSTLLLIPLFGIHYVMFAFFPDNFKAQVKMVFELVVGSFQGFVVAILYCFLNGEVQAELRRKWRRWHLQGVLGWSSKSQHPWGGSNGATCSTQVSMLTRVSPSARRSSSFQAEVSLV
UniProtP30083
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1955712
IUPHAR371
DrugBankN/A

Ligand

NameCHEMBL1956436
Molecular formulaC19H20N2OS
IUPAC nameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-methylphenyl)propanamide
Molecular weight324.442
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.9
SynonymsN-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-3-(4-methylphenyl)propana mide
AKOS002331458
ST50777643
BDBM50365999
MCULE-5325406691
[ Show all ]
Inchi KeyJLIAFBWUJUWJGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20N2OS/c1-13-6-8-14(9-7-13)10-11-18(22)21-19-16(12-20)15-4-2-3-5-17(15)23-19/h6-9H,2-5,10-11H2,1H3,(H,21,22)
PubChem CID16644244
ChEMBLCHEMBL1956436
IUPHARN/A
BindingDB50365999
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50480.0 nMPMID22365758BindingDB,ChEMBL

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