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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

NameCHEMBL2028843
Molecular formulaC43H56N10O6
IUPAC name2-[3-[(1R,11S,14S,22S,25S)-22-(1H-indol-2-ylmethyl)-25-methyl-2,12,15,20,23,26-hexaoxo-3,13,16,21,24,27-hexazapentacyclo[25.8.0.03,11.04,9.029,34]pentatriaconta-29,31,33-trien-14-yl]propyl]guanidine
Molecular weight808.985
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP1.9
SynonymsBDBM50407801
Inchi KeyNQUPLELIUICDKF-VRSQJKFFSA-N
Inchi IDInChI=1S/C43H56N10O6/c1-25-41(58)52-24-29-13-3-2-10-26(29)21-36(52)42(59)53-34-16-7-5-12-28(34)22-35(53)40(57)51-32(15-8-19-47-43(44)45)38(55)46-18-9-17-37(54)50-33(39(56)48-25)23-30-20-27-11-4-6-14-31(27)49-30/h2-4,6,10-11,13-14,20,25,28,32-36,49H,5,7-9,12,15-19,21-24H2,1H3,(H,46,55)(H,48,56)(H,50,54)(H,51,57)(H4,44,45,47)/t25-,28?,32-,33-,34?,35-,36+/m0/s1
PubChem CID70694084
ChEMBLCHEMBL2028843
IUPHARN/A
BindingDB50407801
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
Kd489.78 nMPMID8642569BindingDB,ChEMBL

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