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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

NameCHEMBL3216880
Molecular formulaC34H34Cl6N6O4
IUPAC name4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-4-pyrazol-1-ylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;tetrahydrochloride
Molecular weight803.384
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyGFALMCSFOIFEPF-VYYKFXENSA-N
Inchi IDInChI=1S/C34H30Cl2N6O4.4ClH/c1-21-18-28(42-17-5-16-39-42)24-6-4-7-29(33(24)40-21)46-20-25-26(35)13-14-27(32(25)36)41(3)31(44)19-38-30(43)15-10-22-8-11-23(12-9-22)34(45)37-2;;;;/h4-18H,19-20H2,1-3H3,(H,37,45)(H,38,43);4*1H/b15-10+;;;;
PubChem CID90665033
ChEMBLCHEMBL3216880
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC502.7 nMPMID15027853ChEMBL

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