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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

NameCHEMBL2028841
Molecular formulaC30H42N8O5
IUPAC name2-[3-[(1R,11S,14S,20S)-20-methyl-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 weight594.717
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP0.1
SynonymsBDBM50407807
Inchi KeyUVXIBPIDZMHKGA-PCYKSRCGSA-N
Inchi IDInChI=1S/C30H42N8O5/c1-17-28(42)37-16-20-9-3-2-7-18(20)13-24(37)29(43)38-22-11-5-4-8-19(22)14-23(38)27(41)36-21(10-6-12-33-30(31)32)26(40)34-15-25(39)35-17/h2-3,7,9,17,19,21-24H,4-6,8,10-16H2,1H3,(H,34,40)(H,35,39)(H,36,41)(H4,31,32,33)/t17-,19?,21-,22?,23-,24+/m0/s1
PubChem CID70687850
ChEMBLCHEMBL2028841
IUPHARN/A
BindingDB50407807
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd239.88 nMPMID8642569BindingDB,ChEMBL

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