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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

NameCHEMBL159469
Molecular formulaC21H24N6O6S2
IUPAC name4-[[4-[2-[2-(1H-indol-3-yl)ethylcarbamothioyl]hydrazinyl]-3-nitrophenyl]sulfonylamino]butanoic acid
Molecular weight520.579
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP3.1
Synonyms4-[3-Nitro-4-[3-[2-(1H-indole-3-yl)ethyl]thioureidoamino]phenylsulfonylamino]butanoic acid
BDBM50097723
Inchi KeyFMVXDYWABZQNQT-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N6O6S2/c28-20(29)6-3-10-24-35(32,33)15-7-8-18(19(12-15)27(30)31)25-26-21(34)22-11-9-14-13-23-17-5-2-1-4-16(14)17/h1-2,4-5,7-8,12-13,23-25H,3,6,9-11H2,(H,28,29)(H2,22,26,34)
PubChem CID44375135
ChEMBLCHEMBL159469
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50<100000.0 nMPMID11266174ChEMBL

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