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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

NameCHEMBL24505
Molecular formulaC31H29F6N3O5S
IUPAC name3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]indole-5-carboxamide
Molecular weight669.639
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP6.8
Synonyms1-Methyl-3-[2-methoxy-4-[[(2-methylphenyl)sulfonyl]carbamoyl]benzyl]-N-(3-trifluoromethyl-4,4,4-trifluorobutyl)-1H-indole-5-carboxamide
BDBM50041350
3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indole-5-carboxylic acid (4,4,4-trifluoro-3-trifluoromethyl-butyl)-amide
Inchi KeyDCILEHAEHCZYLS-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H29F6N3O5S/c1-18-6-4-5-7-26(18)46(43,44)39-29(42)21-9-8-19(25(16-21)45-3)14-22-17-40(2)24-11-10-20(15-23(22)24)28(41)38-13-12-27(30(32,33)34)31(35,36)37/h4-11,15-17,27H,12-14H2,1-3H3,(H,38,41)(H,39,42)
PubChem CID10417026
ChEMBLCHEMBL24505
IUPHARN/A
BindingDB50041350
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1.2 nMPMID8176706BindingDB,ChEMBL
pKB9.3 -PMID8176706ChEMBL

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