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GPCR

NameCysteinyl leukotriene receptor 1
SpeciesCavia porcellus (Guinea pig)
GeneCYSLTR1
SynonymCysLTR1
Cysteinyl leukotriene D4 receptor
LTD4 receptor
DiseaseN/A for non-human GPCRs
Length340
Amino acid sequenceMDETGNPTIPPASNNTCYDSIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLVKTYHEKSAFQVYMINLAVADLLCVCTLPLRVAYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCVAIVFPVQNISLVTQKKARLVCIAIWMFVILTSSPFLMANTYKDEKNNTKCFEPPQDNQAKNYVLILHYVSLFIGFIIPFITIIVCYTMIIFTLLKSSMKKNLSSRKRAIGMIIVVTAAFLVSFMPYHIQRTIHLHFLHNKTKPCDSILRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRRRLSTIRKYSLSSMTYIPKKKTSLPQKGKDICKE
UniProtQ2NNR5
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5645
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL54744
Molecular formulaC31H40O8
IUPAC name6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-2-propyl-3,4-dihydrochromene-2-carboxylic acid
Molecular weight540.653
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.6
SynonymsBDBM50017208
6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-pentyloxy]-2-propyl-chroman-2-carboxylic acid
Inchi KeyDLBQNJVBPUWMLS-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H40O8/c1-5-10-24-26(12-11-23(20(3)32)29(24)34)37-16-8-7-9-17-38-28-19-27-22(18-25(28)21(4)33)13-15-31(39-27,14-6-2)30(35)36/h11-12,18-19,34H,5-10,13-17H2,1-4H3,(H,35,36)
PubChem CID14541296
ChEMBLCHEMBL54744
IUPHARN/A
BindingDB50017208
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC502000.0 nMPMID2547071BindingDB,ChEMBL
Inhibition70.0 %PMID2547071ChEMBL

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