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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

NameCHEMBL65100
Molecular formulaC38H52N8O6
IUPAC name2-[[1-[2-[2-(4-aminobutanoylamino)-3-phenylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight716.884
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP-0.8
SynonymsBDBM50407815
Inchi KeyFDTLSGIHPYBNMY-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H52N8O6/c39-18-8-17-33(47)43-29(20-24-10-2-1-3-11-24)35(49)45-23-27-14-5-4-12-25(27)21-32(45)36(50)46-30-16-7-6-13-26(30)22-31(46)34(48)44-28(37(51)52)15-9-19-42-38(40)41/h1-5,10-12,14,26,28-32H,6-9,13,15-23,39H2,(H,43,47)(H,44,48)(H,51,52)(H4,40,41,42)
PubChem CID44306584
ChEMBLN/A
IUPHARN/A
BindingDB50407815
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
Kd363.08 nMPMID8642569BindingDB

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