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GPCR

NameB2 bradykinin receptor
SpeciesHomo sapiens (Human)
GeneBDKRB2
SynonymB2R
B2BRA
BK-2 receptor
B2BKR
B2 receptor
[ Show all ]
DiseaseUnspecified
Cancer
Hereditary angioedema
Inflammatory disease
Osteoarthritis
[ Show all ]
Length391
Amino acid sequenceMFSPWKISMFLSVREDSVPTTASFSADMLNVTLQGPTLNGTFAQSKCPQVEWLGWLNTIQPPFLWVLFVLATLENIFVLSVFCLHKSSCTVAEIYLGNLAAADLILACGLPFWAITISNNFDWLFGETLCRVVNAIISMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCTLLLSSPMLVFRTMKEYSDEGHNVTACVISYPSLIWEVFTNMLLNVVGFLLPLSVITFCTMQIMQVLRNNEMQKFKEIQTERRATVLVLVVLLLFIICWLPFQISTFLDTLHRLGILSSCQDERIIDVITQIASFMAYSNSCLNPLVYVIVGKRFRKKSWEVYQGVCQKGGCRSEPIQMENSMGTLRTSISVERQIHKLQDWAGSRQ
UniProtP30411
Protein Data BankN/A
GPCR-HGmod modelP30411
3D structure modelThis predicted structure model is from GPCR-EXP P30411.
BioLiPN/A
Therapeutic Target DatabaseT23714
ChEMBLCHEMBL3157
IUPHAR42
DrugBankBE0003513

Ligand

NameCHEMBL133005
Molecular formulaC36H30Cl2N4O4
IUPAC name4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-phenylbenzamide
Molecular weight653.56
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.9
Synonyms(E)-3-[4-(Phenylcarbamoyl)phenyl]-N-[2-[methyl[2,4-dichloro-3-[(2-methylquinoline-8-yl)oxymethyl]phenyl]amino]-2-oxoethyl]acrylamide
BDBM50067275
SCHEMBL7746516
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-phenyl-benzamide
Inchi KeyFCQLMFHZIIBJMD-XSFVSMFZSA-N
Inchi IDInChI=1S/C36H30Cl2N4O4/c1-23-11-15-25-7-6-10-31(35(25)40-23)46-22-28-29(37)18-19-30(34(28)38)42(2)33(44)21-39-32(43)20-14-24-12-16-26(17-13-24)36(45)41-27-8-4-3-5-9-27/h3-20H,21-22H2,1-2H3,(H,39,43)(H,41,45)/b20-14+
PubChem CID10556247
ChEMBLCHEMBL133005
IUPHARN/A
BindingDB50067275
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
IC506.3 nMPMID9767643BindingDB
IC5011.0 nMPMID9767643ChEMBL

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