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GPCR

NameB2 bradykinin receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneBDKRB2
SynonymB2R
BK-2 receptor
DiseaseN/A for non-human GPCRs
Length367
Amino acid sequenceMLNITSQVLAPALNGSVSQSSGCPNTEWSGWLNVIQAPFLWVLFVLATLENLFVLSVFCLHKSSCTVAEVYLGNLAAADLILACGLPFWAVTIANHFDWLFGEALCRVVNTMIYMNLYSSICFLMLVSIDRYLALVKTMSIGRMRRVRWAKLYSLVIWGCTLLLSSPMLVFRTMKDYRDEGYNVTACIIDYPSRSWEVFTNVLLNLVGFLLPLSVITFCTVQILQVLRNNEMQKFKEIQTERRATVLVLAVLLLFVVCWLPFQVSTFLDTLLKLGVLSSCWDEHVIDVITQVGSFMGYSNSCLNPLVYVIVGKRFRKKSREVYRAACPKAGCVLEPVQAESSMGTLRTSISVERQIHKLPEWTRSSQ
UniProtQ28642
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3453
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL2028847
Molecular formulaC42H55N9O7
IUPAC name2-[3-[(1R,11S,14S,30S,33S)-33-(hydroxymethyl)-2,12,15,20,31,34-hexaoxo-3,13,16,21,32,35-hexazaheptacyclo[33.8.0.03,11.04,9.021,30.023,28.037,42]tritetraconta-23,25,27,37,39,41-hexaen-14-yl]propyl]guanidine
Molecular weight797.958
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP1.0
SynonymsBDBM50407808
Inchi KeyJXXBOIMAFMXMBZ-ADBBAJODSA-N
Inchi IDInChI=1S/C42H55N9O7/c43-42(44)46-18-7-14-30-37(54)45-17-8-16-36(53)49-22-28-12-3-1-9-25(28)19-33(49)38(55)48-31(24-52)40(57)50-23-29-13-4-2-10-26(29)20-35(50)41(58)51-32-15-6-5-11-27(32)21-34(51)39(56)47-30/h1-4,9-10,12-13,27,30-35,52H,5-8,11,14-24H2,(H,45,54)(H,47,56)(H,48,55)(H4,43,44,46)/t27?,30-,31-,32?,33-,34-,35+/m0/s1
PubChem CID70696206
ChEMBLCHEMBL2028847
IUPHARN/A
BindingDB50407808
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
Kd436.52 nMPMID8642569BindingDB,ChEMBL

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