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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

NameCHEMBL1934263
Molecular formulaC32H31ClN2O3
IUPAC name4-(8-chloro-4-oxochromen-3-yl)-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
Molecular weight527.061
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50360415
Inchi KeyWJLAQUPAQVIHHP-LJAQVGFWSA-N
Inchi IDInChI=1S/C32H31ClN2O3/c33-28-8-5-7-26-30(36)27(20-38-31(26)28)22-11-13-23(14-12-22)32(37)34-29-9-4-6-24-18-21(10-15-25(24)29)19-35-16-2-1-3-17-35/h5,7-8,10-15,18,20,29H,1-4,6,9,16-17,19H2,(H,34,37)/t29-/m0/s1
PubChem CID57392728
ChEMBLCHEMBL1934263
IUPHARN/A
BindingDB50360415
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<4000.0 nMPMID22088753BindingDB,ChEMBL

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