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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

NameCHEMBL249235
Molecular formulaC34H45Cl2N7O4S
IUPAC name4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]-N'-[3-(dimethylamino)propyl]piperazine-1-carboximidamide
Molecular weight718.739
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50411247
Inchi KeyGRBKYJHPFBQCDR-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H45Cl2N7O4S/c1-23-21-24(2)39-31-25(23)9-7-10-28(31)47-22-26-27(35)11-12-29(30(26)36)48(45,46)40-34(13-5-6-14-34)32(44)42-17-19-43(20-18-42)33(37)38-15-8-16-41(3)4/h7,9-12,21,40H,5-6,8,13-20,22H2,1-4H3,(H2,37,38)
PubChem CID10079793
ChEMBLCHEMBL249235
IUPHARN/A
BindingDB50411247
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity24.0 %PMID17266207ChEMBL
Activity69.0 %PMID17266207ChEMBL

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