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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

NameCHEMBL313544
Molecular formulaC32H33Cl2NO4S2
IUPAC name2-[1-[[(1R)-1-[3-[(2,3-dichlorothieno[3,2-b]pyridin-5-yl)oxymethyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight630.639
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP7.9
SynonymsBDBM50285687
(1-{(R)-1-[3-(2,3-Dichloro-thieno[3,2-b]pyridin-5-yloxymethyl)-phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
Inchi KeyBSPOMGCNKIJSIE-XMMPIXPASA-N
Inchi IDInChI=1S/C32H33Cl2NO4S2/c1-31(2,38)23-9-4-3-7-21(23)10-11-24(40-19-32(14-15-32)17-27(36)37)22-8-5-6-20(16-22)18-39-26-13-12-25-29(35-26)28(33)30(34)41-25/h3-9,12-13,16,24,38H,10-11,14-15,17-19H2,1-2H3,(H,36,37)/t24-/m1/s1
PubChem CID44319782
ChEMBLCHEMBL313544
IUPHARN/A
BindingDB50285687
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
IC50<150.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:21:2551BindingDB,ChEMBL

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