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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

NameCHEMBL1934257
Molecular formulaC32H31ClN2O3
IUPAC name3-(7-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
SynonymsBDBM50360425
Inchi KeySGNRLILGTPMHPX-GDLZYMKVSA-N
Inchi IDInChI=1S/C32H31ClN2O3/c33-25-11-13-27-30(18-25)38-20-28(31(27)36)23-6-4-8-24(17-23)32(37)34-29-9-5-7-22-16-21(10-12-26(22)29)19-35-14-2-1-3-15-35/h4,6,8,10-13,16-18,20,29H,1-3,5,7,9,14-15,19H2,(H,34,37)/t29-/m1/s1
PubChem CID57398013
ChEMBLCHEMBL1934257
IUPHARN/A
BindingDB50360425
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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