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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

NameCHEMBL227870
Molecular formulaC29H31F4N3O5S
IUPAC name(3R)-3-(4-fluorophenyl)-N-[(4R)-7-[(2-methoxyethylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
Molecular weight609.637
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP3.5
SynonymsBDBM50209726
SCHEMBL13926541
(R)-3-(4-fluorophenyl)-N-((R)-7-((2-methoxyethylamino)methyl)chroman-4-yl)-3-(3-(trifluoromethyl)phenylsulfonamido)-propanamide
Inchi KeyDOOVVKGISQQLQL-CLJLJLNGSA-N
Inchi IDInChI=1S/C29H31F4N3O5S/c1-40-14-12-34-18-19-5-10-24-25(11-13-41-27(24)15-19)35-28(37)17-26(20-6-8-22(30)9-7-20)36-42(38,39)23-4-2-3-21(16-23)29(31,32)33/h2-10,15-16,25-26,34,36H,11-14,17-18H2,1H3,(H,35,37)/t25-,26-/m1/s1
PubChem CID16221056
ChEMBLCHEMBL227870
IUPHARN/A
BindingDB50209726
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC501685.0 nMPMID17408249BindingDB,ChEMBL

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