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GPCR

NameNeuropeptides B/W receptor type 1
SpeciesHomo sapiens (Human)
GeneNPBWR1
SynonymG protein-coupled receptor 7
G-protein coupled receptor 7
GPR7
neuropeptides B/W receptor type 1
NPBW1 receptor
DiseaseN/A
Length328
Amino acid sequenceMDNASFSEPWPANASGPDPALSCSNASTLAPLPAPLAVAVPVVYAVICAVGLAGNSAVLYVLLRAPRMKTVTNLFILNLAIADELFTLVLPINIADFLLRQWPFGELMCKLIVAIDQYNTFSSLYFLTVMSADRYLVVLATAESRRVAGRTYSAARAVSLAVWGIVTLVVLPFAVFARLDDEQGRRQCVLVFPQPEAFWWRASRLYTLVLGFAIPVSTICVLYTTLLCRLHAMRLDSHAKALERAKKRVTFLVVAILAVCLLCWTPYHLSTVVALTTDLPQTPLVIAISYFITSLSYANSCLNPFLYAFLDASFRRNLRQLITCRAAA
UniProtP48145
Protein Data BankN/A
GPCR-HGmod modelP48145
3D structure modelThis predicted structure model is from GPCR-EXP P48145.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1293293
IUPHARN/A
DrugBankN/A

Ligand

NameMLS001073551
Molecular formulaC21H27F2N3O2
IUPAC name[3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
Molecular weight391.463
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.7
SynonymsCHEMBL1335692
[3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidinyl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
MCULE-3513316515
BDBM62162
SMR000654397
[ Show all ]
Inchi KeyDEUXYPJVDMMKOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27F2N3O2/c1-14(2)8-17-10-19(25-24-17)20(28)26-7-3-6-21(12-26,13-27)11-15-4-5-16(22)9-18(15)23/h4-5,9-10,14,27H,3,6-8,11-13H2,1-2H3,(H,24,25)
PubChem CID24794275
ChEMBLCHEMBL1335692
IUPHARN/A
BindingDB62162
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5034598.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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