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GPCR

NameB2 bradykinin receptor
SpeciesRattus norvegicus (Rat)
GeneBdkrb2
SynonymB2 receptor
B2BKR
B2BRA
BK-2 receptor
BK2R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length396
Amino acid sequenceMDTRSSLCPKTQAVVAVFWGPGCHLSTCIEMFNITTQALGSAHNGTFSEVNCPDTEWWSWLNAIQAPFLWVLFLLAALENIFVLSVFCLHKTNCTVAEIYLGNLAAADLILACGLPFWAITIANNFDWLFGEVLCRVVNTMIYMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWSCTLLLSSPMLVFRTMKDYREEGHNVTACVIVYPSRSWEVFTNMLLNLVGFLLPLSIITFCTVRIMQVLRNNEMKKFKEVQTEKKATVLVLAVLGLFVLCWFPFQISTFLDTLLRLGVLSGCWNERAVDIVTQISSYVAYSNSCLNPLVYVIVGKRFRKKSREVYQAICRKGGCMGESVQMENSMGTLRTSISVDRQIHKLQDWAGNKQ
UniProtP25023
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2501
IUPHAR42
DrugBankN/A

Ligand

NameCHEMBL159456
Molecular formulaC22H28N6O5S3
IUPAC name(2R)-N-benzyl-1-[[4-(2-methylsulfanylethylsulfamoyl)-2-nitroanilino]carbamothioyl]pyrrolidine-2-carboxamide
Molecular weight552.683
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP3.4
Synonyms(2R)-N-Benzyl-1-[2-[2-nitro-4-[2-(methylthio)ethylsulfamoyl]phenyl]hydrazinocarbonothioyl]pyrrolidine-2-carboxamide
Inchi KeyDWFVMTJWYLYAQR-LJQANCHMSA-N
Inchi IDInChI=1S/C22H28N6O5S3/c1-35-13-11-24-36(32,33)17-9-10-18(20(14-17)28(30)31)25-26-22(34)27-12-5-8-19(27)21(29)23-15-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,19,24-25H,5,8,11-13,15H2,1H3,(H,23,29)(H,26,34)/t19-/m1/s1
PubChem CID44375712
ChEMBLCHEMBL159456
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<100000.0 nMPMID11266174ChEMBL

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