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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

NameCHEMBL205093
Molecular formulaC34H46Cl2N6O5S
IUPAC nameN-[1-[4-[(3S)-3-amino-6-(dimethylamino)hexanoyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]-2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonamide
Molecular weight721.739
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL4069493
BDBM50410927
Inchi KeyBYOMNESVGLGCIF-DEOSSOPVSA-N
Inchi IDInChI=1S/C34H46Cl2N6O5S/c1-22-19-23(2)38-32-25(22)10-7-11-28(32)47-21-26-27(35)12-13-29(31(26)36)48(45,46)39-34(3,4)33(44)42-17-15-41(16-18-42)30(43)20-24(37)9-8-14-40(5)6/h7,10-13,19,24,39H,8-9,14-18,20-21,37H2,1-6H3/t24-/m0/s1
PubChem CID10439868
ChEMBLCHEMBL205093
IUPHARN/A
BindingDB50410927
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity20.0 %PMID17266207ChEMBL
Activity63.0 %PMID17266207ChEMBL
Kd0.1 nMPMID17266207BindingDB,ChEMBL

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