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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

NameMLS001199098
Molecular formulaC25H35N5O
IUPAC nameN-[2-(diethylamino)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]propanamide
Molecular weight421.589
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.3
SynonymsSMR000563225
N-[2-(diethylamino)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
CHEMBL1319565
BDBM62138
cid_23603500
[ Show all ]
Inchi KeyCRZGIBBJIJHGEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H35N5O/c1-7-29(8-2)16-15-26-23(31)14-13-22-18(4)24-20(6)28-30(25(24)27-19(22)5)21-11-9-17(3)10-12-21/h9-12H,7-8,13-16H2,1-6H3,(H,26,31)
PubChem CID23603500
ChEMBLCHEMBL1319565
IUPHARN/A
BindingDB62138
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5010262.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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