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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

NameCHEMBL538281
Molecular formulaC28H26BrCl2N5O5S
IUPAC name(E)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
Molecular weight695.41
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.7
SynonymsCHEMBL1189218
(E)-N-({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyridin-8-yloxymethyl)-2,4-dichloro-phenyl]-methyl-carbamoyl}-methyl)-3-(4-methanesulfonylamino-phenyl)-acrylamide; hydrochloride
BDBM50067250
SCHEMBL8561580
(E)-N-[2-[Methyl[2,4-dichloro-3-[[(2-methyl-3-bromoimidazo[1,2-a]pyridine-8-yl)oxy]methyl]phenyl]amino]-2-oxoethyl]-3-[4-(methylsulfonylamino)phenyl]acrylamide
Inchi KeyADUFOLJVECWGCS-MDWZMJQESA-N
Inchi IDInChI=1S/C28H26BrCl2N5O5S/c1-17-27(29)36-14-4-5-23(28(36)33-17)41-16-20-21(30)11-12-22(26(20)31)35(2)25(38)15-32-24(37)13-8-18-6-9-19(10-7-18)34-42(3,39)40/h4-14,34H,15-16H2,1-3H3,(H,32,37)/b13-8+
PubChem CID10580536
ChEMBLN/A
IUPHARN/A
BindingDB50067250
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
IC504.8 nMPMID9767642BindingDB

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