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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

NameCHEMBL2112283
Molecular formulaC35H46N8O6S
IUPAC name(2S)-N-[2-[3-(dimethylamino)propyl-methylamino]ethyl]-1-[3-nitro-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]phenyl]sulfonylpyrrolidine-2-carboxamide
Molecular weight706.863
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP4.6
SynonymsBDBM50409527
Inchi KeyNSKPGTTUWOXHBF-HKBQPEDESA-N
Inchi IDInChI=1S/C35H46N8O6S/c1-40(2)20-9-21-41(3)23-19-36-34(44)31-14-8-22-42(31)50(48,49)27-17-18-30(32(24-27)43(46)47)38-39-35(45)37-33-28-12-6-4-10-25(28)15-16-26-11-5-7-13-29(26)33/h4-7,10-13,17-18,24,31,33,38H,8-9,14-16,19-23H2,1-3H3,(H,36,44)(H2,37,39,45)/t31-/m0/s1
PubChem CID9987299
ChEMBLCHEMBL2112283
IUPHARN/A
BindingDB50409527
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502.4 nMPMID12014954BindingDB,ChEMBL
IC50105.0 nMPMID12014954BindingDB,ChEMBL
Ki10.7 nMPMID12014954BindingDB,ChEMBL

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