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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

NameCHEMBL380273
Molecular formulaC33H44Cl2N6O5S
IUPAC nameN-[1-[4-[(2S)-2-amino-5-(dimethylamino)pentanoyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]-2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonamide
Molecular weight707.712
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.9
SynonymsMEN-15442
SCHEMBL4069480
BDBM50410917
Inchi KeyFWEDCBJKAGZGPE-SANMLTNESA-N
Inchi IDInChI=1S/C33H44Cl2N6O5S/c1-21-19-22(2)37-30-23(21)9-7-11-27(30)46-20-24-25(34)12-13-28(29(24)35)47(44,45)38-33(3,4)32(43)41-17-15-40(16-18-41)31(42)26(36)10-8-14-39(5)6/h7,9,11-13,19,26,38H,8,10,14-18,20,36H2,1-6H3/t26-/m0/s1
PubChem CID10101294
ChEMBLCHEMBL380273
IUPHARN/A
BindingDB50410917
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity39.0 %PMID17266207ChEMBL
Activity79.0 %PMID17266207ChEMBL
Kd0.1 nMPMID17266207BindingDB,ChEMBL

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