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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

NameCHEMBL342195
Molecular formulaC32H32N4O4
IUPAC name4-[(E)-3-[[2-[N,2-dimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight536.632
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
SynonymsSCHEMBL8366313
BDBM50067931
N-Methyl-4-{(E)-2-[({methyl-[2-methyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-carbamoyl}-methyl)-carbamoyl]-vinyl}-benzamide
Inchi KeyAFNPYEOPZAKLQY-NBVRZTHBSA-N
Inchi IDInChI=1S/C32H32N4O4/c1-21-11-15-24-7-6-10-28(31(24)35-21)40-20-26-8-5-9-27(22(26)2)36(4)30(38)19-34-29(37)18-14-23-12-16-25(17-13-23)32(39)33-3/h5-18H,19-20H2,1-4H3,(H,33,39)(H,34,37)/b18-14+
PubChem CID10744917
ChEMBLCHEMBL342195
IUPHARN/A
BindingDB50067931
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5017.0 nMPMID9804698BindingDB,ChEMBL

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