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GPCR

NameB2 bradykinin receptor
SpeciesCavia porcellus (Guinea pig)
GeneBDKRB2
SynonymB2R
BK-2 receptor
DiseaseN/A for non-human GPCRs
Length372
Amino acid sequenceMFNITSQVSALNATLAQGNSCLDAEWWSWLNTIQAPFLWVLFVLAVLENIFVLSVFFLHKSSCTVAEIYLGNLAVADLILAFGLPFWAITIANNFDWLFGEVLCRMVNTMIQMNMYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCALLLSSPMLVFRTMKDYRDEGHNVTACLIIYPSLTWQVFTNVLLNLVGFLLPLSIITFCTVQIMQVLRNNEMQKFKEIQTERRATVLVLAVLLLFVVCWLPFQIGTFLDTLRLLGFLPGCWEHVIDLITQISSYLAYSNSCLNPLVYVIVGKRFRKKSREVYHGLCRSGGCVSEPAQSENSMGTLRTSISVDRQIHKLQDWARSSSEGTPPGLL
UniProtO70526
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4111
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL325601
Molecular formulaC29H35N3O6S
IUPAC namemethyl 6-[[2-[4-methoxy-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2-methylsulfanylanilino]-2-oxoethyl]amino]-6-oxohexanoate
Molecular weight553.674
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50074994
L018199
5-[({[4-Methoxy-3-(2-methyl-quinolin-8-yloxymethyl)-2-methylsulfanyl-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-pentanoic acid methyl ester
Inchi KeyDWSHMWJCXXOESP-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H35N3O6S/c1-19-13-14-20-9-8-10-24(28(20)31-19)38-18-21-23(36-3)16-15-22(29(21)39-5)32(2)26(34)17-30-25(33)11-6-7-12-27(35)37-4/h8-10,13-16H,6-7,11-12,17-18H2,1-5H3,(H,30,33)
PubChem CID44214619
ChEMBLCHEMBL325601
IUPHARN/A
BindingDB50074994
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50480.0 nMPMID10091678BindingDB,ChEMBL
IC5047.0 nMPMID10091678BindingDB
IC5047.2 nMPMID10091678ChEMBL
Ki5.4 nMPMID10091678BindingDB,ChEMBL

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