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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

NameCHEMBL113176
Molecular formulaC32H30F3N3O4S
IUPAC name(E)-N-[2-[2-methoxy-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-4-methylsulfanylanilino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Molecular weight609.664
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP6.2
SynonymsBDBM50074995
(E)-N-({[2-Methoxy-3-(2-methyl-quinolin-8-yloxymethyl)-4-methylsulfanyl-phenyl]-methyl-carbamoyl}-methyl)-3-(4-trifluoromethyl-phenyl)-acrylamide
Inchi KeyCNQXHTZBJVYQCO-GZTJUZNOSA-N
Inchi IDInChI=1S/C32H30F3N3O4S/c1-20-8-12-22-6-5-7-26(30(22)37-20)42-19-24-27(43-4)16-15-25(31(24)41-3)38(2)29(40)18-36-28(39)17-11-21-9-13-23(14-10-21)32(33,34)35/h5-17H,18-19H2,1-4H3,(H,36,39)/b17-11+
PubChem CID44340964
ChEMBLCHEMBL113176
IUPHARN/A
BindingDB50074995
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
EC501100.0 nMPMID10091678BindingDB,ChEMBL
IC50393.0 nMPMID10091678BindingDB,ChEMBL
Ki45.0 nMPMID10091678BindingDB
Ki45.4 nMPMID10091678ChEMBL

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