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GPCR

NameB2 bradykinin receptor
SpeciesCavia porcellus (Guinea pig)
GeneBDKRB2
SynonymB2R
BK-2 receptor
DiseaseN/A for non-human GPCRs
Length372
Amino acid sequenceMFNITSQVSALNATLAQGNSCLDAEWWSWLNTIQAPFLWVLFVLAVLENIFVLSVFFLHKSSCTVAEIYLGNLAVADLILAFGLPFWAITIANNFDWLFGEVLCRMVNTMIQMNMYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCALLLSSPMLVFRTMKDYRDEGHNVTACLIIYPSLTWQVFTNVLLNLVGFLLPLSIITFCTVQIMQVLRNNEMQKFKEIQTERRATVLVLAVLLLFVVCWLPFQIGTFLDTLRLLGFLPGCWEHVIDLITQISSYLAYSNSCLNPLVYVIVGKRFRKKSREVYHGLCRSGGCVSEPAQSENSMGTLRTSISVDRQIHKLQDWARSSSEGTPPGLL
UniProtO70526
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4111
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL134028
Molecular formulaC31H28Cl2N4O4
IUPAC name4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-7-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight591.489
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50067277
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-7-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
Inchi KeyFFLXICKALYZDGU-VIZOYTHASA-N
Inchi IDInChI=1S/C31H28Cl2N4O4/c1-19-4-8-21-11-12-23(16-26(21)36-19)41-18-24-25(32)13-14-27(30(24)33)37(3)29(39)17-35-28(38)15-7-20-5-9-22(10-6-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b15-7+
PubChem CID10507644
ChEMBLCHEMBL134028
IUPHARN/A
BindingDB50067277
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
IC50<10000.0 nMPMID9767643BindingDB,ChEMBL

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