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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

Name2-[cyclohexyl(methyl)amino]-5-nitro-N-phenylbenzamide
Molecular formulaC20H23N3O3
IUPAC name2-[cyclohexyl(methyl)amino]-5-nitro-N-phenylbenzamide
Molecular weight353.422
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsMLS000582145
AC1MGGKW
CHEMBL1604140
MolPort-002-275-065
HMS2442P19
[ Show all ]
Inchi KeyABTBRIDDKJDMQY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23N3O3/c1-22(16-10-6-3-7-11-16)19-13-12-17(23(25)26)14-18(19)20(24)21-15-8-4-2-5-9-15/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H,21,24)
PubChem CID2960709
ChEMBLCHEMBL1604140
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
Potency15848.9 nMPubChem BioAssay data setChEMBL

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