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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

NameBDBM62096
Molecular formulaC23H20ClN3O3S
IUPAC name1-(4-chlorophenyl)-3-[[1,3-dihydroxy-2-(4-methylphenyl)-7H-4,7-epoxyisoindol-4-yl]methyl]thiourea
Molecular weight453.941
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP4.2
Synonymscid_12005269
1-(4-chlorophenyl)-3-[[1,3-diketo-2-(p-tolyl)-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea
1-(4-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-bis(oxidanylidene)-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea
1-(4-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea
Inchi KeyCDXJBLOMSQZLRV-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20ClN3O3S/c1-13-2-8-16(9-3-13)27-20(28)18-17-10-11-23(30-17,19(18)21(27)29)12-25-22(31)26-15-6-4-14(24)5-7-15/h2-11,17,28-29H,12H2,1H3,(H2,25,26,31)
PubChem CID91897498
ChEMBLN/A
IUPHARN/A
BindingDB62096
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5042805.0 nMN/ABindingDB

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