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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

NameCHEMBL555465
Molecular formulaC30H27Cl2N5O4
IUPAC name(E)-3-(4-acetamidophenyl)-N-[2-[2,4-dichloro-N-methyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]anilino]-2-oxoethyl]prop-2-enamide
Molecular weight592.477
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50067298
SCHEMBL7748567
(E)-3-(4-Acetylamino-phenyl)-N-({[2,4-dichloro-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide; hydrochloride
CHEMBL1195858
Inchi KeyCZXIPZLCSSFVQP-NTEUORMPSA-N
Inchi IDInChI=1S/C30H27Cl2N5O4/c1-18-15-33-24-5-4-6-26(30(24)35-18)41-17-22-23(31)12-13-25(29(22)32)37(3)28(40)16-34-27(39)14-9-20-7-10-21(11-8-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,36,38)/b14-9+
PubChem CID10793563
ChEMBLN/A
IUPHARN/A
BindingDB50067298
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC502.4 nMPMID9767643BindingDB

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