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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

NameCHEMBL24256
Molecular formulaC32H35N3O5S
IUPAC nameN-(cyclopentylmethyl)-3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindole-5-carboxamide
Molecular weight573.708
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.8
SynonymsBDBM50000817
N-[(2-Methylphenyl)sulfonyl]-3-methoxy-4-[[1-methyl-5-[(cyclopentylmethyl)aminocarbonyl]-1H-indol-3-yl]methyl]benzamide
3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indole-5-carboxylic acid cyclopentylmethyl-amide
SCHEMBL10469555
Inchi KeyFARHPKVVFVBCNT-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H35N3O5S/c1-21-8-4-7-11-30(21)41(38,39)34-32(37)25-13-12-23(29(18-25)40-3)16-26-20-35(2)28-15-14-24(17-27(26)28)31(36)33-19-22-9-5-6-10-22/h4,7-8,11-15,17-18,20,22H,5-6,9-10,16,19H2,1-3H3,(H,33,36)(H,34,37)
PubChem CID10438054
ChEMBLCHEMBL24256
IUPHARN/A
BindingDB50000817
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
ED5019.2 umol.kg-1PMID8176706ChEMBL
Ki3.162 nMPMID8381184ChEMBL
Ki3.2 nMPMID8176706BindingDB,ChEMBL
pKB8.4 -PMID8176706, PMID8381184ChEMBL

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