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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

NameCHEMBL27701
Molecular formulaC33H26Cl2F3N3O3
IUPAC nameN-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-[1-methyl-5-[4-(trifluoromethyl)benzoyl]pyrrol-2-yl]acetamide
Molecular weight640.484
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP7.6
SynonymsN-[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-2-[1-methyl-5-(4-trifluoromethyl-benzoyl)-1H-pyrrol-2-yl]-acetamide
BDBM50126257
Inchi KeyCUYIJPZNNGZEQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H26Cl2F3N3O3/c1-19-7-8-20-5-4-6-28(31(20)39-19)44-18-24-25(34)14-16-26(30(24)35)41(3)29(42)17-23-13-15-27(40(23)2)32(43)21-9-11-22(12-10-21)33(36,37)38/h4-16H,17-18H2,1-3H3
PubChem CID44276666
ChEMBLCHEMBL27701
IUPHARN/A
BindingDB50126257
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
Ki476.0 nMPMID12657278BindingDB
Ki476.0 nMPMID12657278ChEMBL

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