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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

NameMLS000324743
Molecular formulaC27H29N3O5
IUPAC namemethyl 2-[[[5-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]phenyl]-phenylmethyl]amino]acetate
Molecular weight475.545
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.2
SynonymsSMR000163715
methyl {[{2-[({[(benzyloxy)carbonyl]amino}acetyl)amino]-5-methylphenyl}(phenyl)methyl]amino}acetate
methyl 2-[[[5-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]phenyl]-phenylmethyl]amino]acetate
AC1MS2OB
CHEMBL1573548
[ Show all ]
Inchi KeyDOSJTEVSWNHNRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N3O5/c1-19-13-14-23(30-24(31)16-29-27(33)35-18-20-9-5-3-6-10-20)22(15-19)26(28-17-25(32)34-2)21-11-7-4-8-12-21/h3-15,26,28H,16-18H2,1-2H3,(H,29,33)(H,30,31)
PubChem CID3527724
ChEMBLCHEMBL1573548
IUPHARN/A
BindingDB62087
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5035287.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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