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GPCR

NameB1 bradykinin receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneBDKRB1
SynonymB1R
BK-1 receptor
DiseaseN/A for non-human GPCRs
Length352
Amino acid sequenceMASQGPLELQPSNQSQLAPPNATSCSGAPDAWDLLHRLLPTFIIAIFTLGLLGNSFVLSVFLLARRRLSVAEIYLANLAASDLVFVLGLPFWAENVRNQFDWPFGAALCRIVNGVIKANLFISIFLVVAISQDRYSVLVHPMASRRGRRRRQAQATCALIWLAGGLLSTPTFVLRSVRAVPELNVSACILLLPHEAWHWLRMVELNLLGFLLPLAAILFFNCHILASLRRRGERVPSRCGGPRDSKSTALILTLVASFLVCWAPYHFFAFLECLWQVHAIGGCFWEEFTDLGLQLSNFSAFVNSCLNPVIYVFVGRLFRTKVWELCQQCSPRSLAPVSSSRRKEMLWGFWRN
UniProtP48748
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4087
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1934258
Molecular formulaC32H31ClN2O3
IUPAC name3-(8-chloro-4-oxochromen-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
Molecular weight527.061
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50360423
Inchi KeyJRHYUDHUBOPSER-GDLZYMKVSA-N
Inchi IDInChI=1S/C32H31ClN2O3/c33-28-11-6-10-26-30(36)27(20-38-31(26)28)23-7-4-9-24(18-23)32(37)34-29-12-5-8-22-17-21(13-14-25(22)29)19-35-15-2-1-3-16-35/h4,6-7,9-11,13-14,17-18,20,29H,1-3,5,8,12,15-16,19H2,(H,34,37)/t29-/m1/s1
PubChem CID57403175
ChEMBLCHEMBL1934258
IUPHARN/A
BindingDB50360423
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<800.0 nMPMID22088753BindingDB,ChEMBL

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