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GPCR

NameCysteinyl leukotriene receptor 1
SpeciesHomo sapiens (Human)
GeneCYSLTR1
SynonymLTD4 receptor
LTD4
leukotriene D4 receptor
HMTMF81
HG55
[ Show all ]
DiseaseN/A
Length337
Amino acid sequenceMDETGNLTVSSATCHDTIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLIKTYHKKSAFQVYMINLAVADLLCVCTLPLRVVYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCIAIVFPVQNINLVTQKKARFVCVGIWIFVILTSSPFLMAKPQKDEKNNTKCFEPPQDNQTKNHVLVLHYVSLFVGFIIPFVIIIVCYTMIILTLLKKSMKKNLSSHKKAIGMIMVVTAAFLVSFMPYHIQRTIHLHFLHNETKPCDSVLRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRKRLSTFRKHSLSSVTYVPRKKASLPEKGEEICKV
UniProtQ9Y271
Protein Data BankN/A
GPCR-HGmod modelQ9Y271
3D structure modelThis predicted structure model is from GPCR-EXP Q9Y271.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1798
IUPHAR269
DrugBankBE0000705

Ligand

NameCHEMBL36607
Molecular formulaC32H36O6S
IUPAC name4-[(Z)-8-carboxy-1-[4-(4-phenoxybutoxy)phenyl]oct-2-en-4-yl]sulfanylbenzoic acid
Molecular weight548.694
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP7.3
SynonymsN/A
Inchi KeyGVIMCEBGNASKLU-JYRVWZFOSA-N
Inchi IDInChI=1S/C32H36O6S/c33-31(34)14-5-4-12-29(39-30-21-17-26(18-22-30)32(35)36)13-8-9-25-15-19-28(20-16-25)38-24-7-6-23-37-27-10-2-1-3-11-27/h1-3,8,10-11,13,15-22,29H,4-7,9,12,14,23-24H2,(H,33,34)(H,35,36)/b13-8-
PubChem CID44285293
ChEMBLCHEMBL36607
IUPHARN/A
BindingDBN/A
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
pKB6.8 -Bioorg. Med. Chem. Lett., (1993) 3:8:1517ChEMBL

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