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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

NameCHEMBL555202
Molecular formulaC34H28Cl2N6O4
IUPAC nameN-[5-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]pyridin-2-yl]pyridine-4-carboxamide
Molecular weight655.536
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.1
SynonymsCHEMBL1195721
SCHEMBL7746555
SCHEMBL7746558
BDBM50067307
N-(5-{2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-pyridin-2-yl)-isonicotinamide; trihydrochloride
Inchi KeyFQCRACXMMOWWKA-MDWZMJQESA-N
Inchi IDInChI=1S/C34H28Cl2N6O4/c1-21-6-9-23-4-3-5-28(33(23)40-21)46-20-25-26(35)10-11-27(32(25)36)42(2)31(44)19-39-30(43)13-8-22-7-12-29(38-18-22)41-34(45)24-14-16-37-17-15-24/h3-18H,19-20H2,1-2H3,(H,39,43)(H,38,41,45)/b13-8+
PubChem CID10746877
ChEMBLN/A
IUPHARN/A
BindingDB50067307
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
IC503.3 nMPMID9767643BindingDB

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