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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

NameCHEMBL280869
Molecular formulaC33H29Cl2N3O5S
IUPAC nameN-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-[1-methyl-5-(4-methylsulfonylbenzoyl)pyrrol-2-yl]acetamide
Molecular weight650.571
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP6.0
SynonymsSCHEMBL4601565
BDBM50126242
N-[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-2-[5-(4-methanesulfonyl-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-methyl-acetamide
Inchi KeyAXVRXNVRRZNSLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H29Cl2N3O5S/c1-20-8-9-21-6-5-7-29(32(21)36-20)43-19-25-26(34)15-17-27(31(25)35)38(3)30(39)18-23-12-16-28(37(23)2)33(40)22-10-13-24(14-11-22)44(4,41)42/h5-17H,18-19H2,1-4H3
PubChem CID22288578
ChEMBLCHEMBL280869
IUPHARN/A
BindingDB50126242
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
Ki34.0 nMPMID12657278BindingDB,ChEMBL

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