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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

NameCHEMBL2028840
Molecular formulaC36H46N8O5
IUPAC name2-[3-[(1R,11S,14S,20S)-20-benzyl-2,12,15,18,21-pentaoxo-3,13,16,19,22-pentazapentacyclo[20.8.0.03,11.04,9.024,29]triaconta-24,26,28-trien-14-yl]propyl]guanidine
Molecular weight670.815
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP1.7
SynonymsBDBM50407797
Inchi KeyIDSBGVBZEIRGPI-BDXJZSPXSA-N
Inchi IDInChI=1S/C36H46N8O5/c37-36(38)39-16-8-14-26-32(46)40-20-31(45)41-27(17-22-9-2-1-3-10-22)34(48)43-21-25-13-5-4-11-23(25)18-30(43)35(49)44-28-15-7-6-12-24(28)19-29(44)33(47)42-26/h1-5,9-11,13,24,26-30H,6-8,12,14-21H2,(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t24?,26-,27-,28?,29-,30+/m0/s1
PubChem CID70685700
ChEMBLCHEMBL2028840
IUPHARN/A
BindingDB50407797
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd117.49 nMPMID8642569BindingDB,ChEMBL

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