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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

NameCHEMBL3215999
Molecular formulaC37H41Cl6N5O5
IUPAC name(E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methyl-4-morpholin-4-ylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;tetrahydrochloride
Molecular weight848.465
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyFJKUVJWANXNBEP-VYYKFXENSA-N
Inchi IDInChI=1S/C37H37Cl2N5O5.4ClH/c1-24-21-31(43-17-19-48-20-18-43)27-5-3-6-32(37(27)41-24)49-23-28-29(38)13-14-30(36(28)39)42(2)35(47)22-40-33(45)15-10-25-8-11-26(12-9-25)44-16-4-7-34(44)46;;;;/h3,5-6,8-15,21H,4,7,16-20,22-23H2,1-2H3,(H,40,45);4*1H/b15-10+;;;;
PubChem CID90664542
ChEMBLCHEMBL3215999
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC5013.0 nMPMID15115408ChEMBL

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