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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

NameCHEMBL161426
Molecular formulaC24H22N6O6S2
IUPAC name2-[[4-[2-[2-(1H-indol-3-yl)ethylcarbamothioyl]hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid
Molecular weight554.596
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP4.9
Synonyms2-[3-Nitro-4-[3-[2-(1H-indole-3-yl)ethyl]thioureidoamino]phenylsulfonylamino]benzoic acid
BDBM50097738
Inchi KeyGXTXUZPKCHAUBA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N6O6S2/c31-23(32)18-6-2-4-8-20(18)29-38(35,36)16-9-10-21(22(13-16)30(33)34)27-28-24(37)25-12-11-15-14-26-19-7-3-1-5-17(15)19/h1-10,13-14,26-27,29H,11-12H2,(H,31,32)(H2,25,28,37)
PubChem CID44375073
ChEMBLCHEMBL161426
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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