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GPCR

NameVasoactive intestinal polypeptide receptor 1
SpeciesHomo sapiens (Human)
GeneVIPR1
SynonymVPAC1
VIP-R-1
VIP and PACAP receptor 1
VIP-R1
RDC1
[ Show all ]
DiseaseRespiratory disease
Chronic obstructive pulmonary disease; Pulmonary arterial hypertension
Length457
Amino acid sequenceMRPPSPLPARWLCVLAGALAWALGPAGGQAARLQEECDYVQMIEVQHKQCLEEAQLENETIGCSKMWDNLTCWPATPRGQVVVLACPLIFKLFSSIQGRNVSRSCTDEGWTHLEPGPYPIACGLDDKAASLDEQQTMFYGSVKTGYTIGYGLSLATLLVATAILSLFRKLHCTRNYIHMHLFISFILRAAAVFIKDLALFDSGESDQCSEGSVGCKAAMVFFQYCVMANFFWLLVEGLYLYTLLAVSFFSERKYFWGYILIGWGVPSTFTMVWTIARIHFEDYGCWDTINSSLWWIIKGPILTSILVNFILFICIIRILLQKLRPPDIRKSDSSPYSRLARSTLLLIPLFGVHYIMFAFFPDNFKPEVKMVFELVVGSFQGFVVAILYCFLNGEVQAELRRKWRRWHLQGVLGWNPKYRHPSGGSNGATCSTQVSMLTRVSPGARRSSSFQAEVSLV
UniProtP32241
Protein Data BankN/A
GPCR-HGmod modelP32241
3D structure modelThis predicted structure model is from GPCR-EXP P32241.
BioLiPN/A
Therapeutic Target DatabaseT86364
ChEMBLCHEMBL5144
IUPHAR371
DrugBankN/A

Ligand

NameBenzthiazole compound, 33p
Molecular formulaC21H23N3O3S
IUPAC nameN-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-hydroxyacetamide
Molecular weight397.493
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.3
SynonymsCHEMBL479383
SCHEMBL4688910
BDBM24238
IJHSPFFWIXGDBB-UHFFFAOYSA-N
N-(1-{[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)-2-hydroxyacetamide
[ Show all ]
Inchi KeyIJHSPFFWIXGDBB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N3O3S/c25-14-20(26)22-16-9-11-24(12-10-16)13-15-5-7-17(8-6-15)27-21-23-18-3-1-2-4-19(18)28-21/h1-8,16,25H,9-14H2,(H,22,26)
PubChem CID11200344
ChEMBLCHEMBL479383
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition>10.0 %PMID18588282ChEMBL

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