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GPCR

NameNeuropeptide S receptor
SpeciesHomo sapiens (Human)
GeneNPSR1
SynonymNPS receptor
PGR14
GPR154
G-protein coupled receptor PGR14
G-protein coupled receptor for asthma susceptibility
[ Show all ]
DiseaseNeurological disease
Length371
Amino acid sequenceMPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKKKSRMTFFVTQLAITDSFTGLVNILTDINWRFTGDFTAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQARVLIVIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISIMYGIVIRTIWIKSKTYETVISNCSDGKLCSSYNRGLISKAKIKAIKYSIIIILAFICCWSPYFLFDILDNFNLLPDTQERFYASVIIQNLPALNSAINPLIYCVFSSSISFPCREQRSQDSRMTFRERTERHEMQILSKPEFI
UniProtQ6W5P4
Protein Data BankN/A
GPCR-HGmod modelQ6W5P4
3D structure modelThis predicted structure model is from GPCR-EXP Q6W5P4.
BioLiPN/A
Therapeutic Target DatabaseT20958
ChEMBLCHEMBL5162
IUPHAR302
DrugBankBE0000948

Ligand

NameMLS000418503
Molecular formulaC21H13N3OS
IUPAC name2-[1-[(Z)-3-oxo-1-phenyl-3-thiophen-2-ylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
Molecular weight355.415
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.8
SynonymsSMR000265051
2-[1-[(Z)-3-oxo-1-phenyl-3-thiophen-2-ylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
AC1O0OTC
CHEMBL1403085
BDBM65196
[ Show all ]
Inchi KeyACPFNRHMOAPTCY-UYRXBGFRSA-N
Inchi IDInChI=1S/C21H13N3OS/c22-14-17(15-23)18-9-4-5-11-24(18)19(13-16-7-2-1-3-8-16)21(25)20-10-6-12-26-20/h1-13H/b19-13-
PubChem CID5997787
ChEMBLCHEMBL1403085
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
Potency12589.3 nMPubChem BioAssay data setChEMBL

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