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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

NameCHEMBL221683
Molecular formulaC35H46Cl2N5O5S+
IUPAC name[4-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-4-oxobutyl]-trimethylazanium
Molecular weight719.743
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.8
SynonymsSCHEMBL4245692
BDBM50411269
Inchi KeyFITBAVZSOSBRLL-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H46Cl2N5O5S/c1-24-22-25(2)38-33-26(24)10-8-11-29(33)47-23-27-28(36)13-14-30(32(27)37)48(45,46)39-35(15-6-7-16-35)34(44)41-19-17-40(18-20-41)31(43)12-9-21-42(3,4)5/h8,10-11,13-14,22,39H,6-7,9,12,15-21,23H2,1-5H3/q+1
PubChem CID10396101
ChEMBLCHEMBL221683
IUPHARN/A
BindingDB50411269
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity65.0 %PMID17266207ChEMBL
Activity83.0 %PMID17266207ChEMBL

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