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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

NameCHEMBL286710
Molecular formulaC33H31ClN4O3
IUPAC name2-[5-(6-chloropyridine-3-carbonyl)-1-methylpyrrol-2-yl]-N-[2,4-dimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
Molecular weight567.086
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.1
SynonymsBDBM50126258
L022419
2-[5-(6-Chloro-pyridine-3-carbonyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide
Inchi KeyANVSGCMMXYFPIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H31ClN4O3/c1-20-9-14-27(22(3)26(20)19-41-29-8-6-7-23-11-10-21(2)36-32(23)29)38(5)31(39)17-25-13-15-28(37(25)4)33(40)24-12-16-30(34)35-18-24/h6-16,18H,17,19H2,1-5H3
PubChem CID44215784
ChEMBLCHEMBL286710
IUPHARN/A
BindingDB50126258
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
Ki271.0 nMPMID12657278BindingDB,ChEMBL

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