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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

NameSMR000131465
Molecular formulaC22H26N2O3
IUPAC nameN-cyclooctyl-2-(furan-2-ylmethyl)-3-oxo-1H-isoindole-1-carboxamide
Molecular weight366.461
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.0
SynonymsMLS000521056
N-cyclooctyl-2-(furan-2-ylmethyl)-3-oxo-1H-isoindole-1-carboxamide
AC1NCRJB
CHEMBL1565197
BDBM62082
[ Show all ]
Inchi KeyCZHKNIVNMCJKFB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N2O3/c25-21(23-16-9-4-2-1-3-5-10-16)20-18-12-6-7-13-19(18)22(26)24(20)15-17-11-8-14-27-17/h6-8,11-14,16,20H,1-5,9-10,15H2,(H,23,25)
PubChem CID4516225
ChEMBLCHEMBL1565197
IUPHARN/A
BindingDB62082
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<43807.0 nMPubChem BioAssay data setChEMBL
IC5043807.0 nMN/ABindingDB

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