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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

NameCHEMBL84841
Molecular formulaC31H26Cl2F3NO2S2
IUPAC name2-[1-[[(1R)-1-[3-[(E)-2-(2,3-dichlorothieno[3,2-b]pyridin-5-yl)ethenyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight636.569
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP9.6
SynonymsBDBM50285669
{1-[(R)-1-{3-[(E)-2-(2,3-Dichloro-thieno[3,2-b]pyridin-5-yl)-vinyl]-phenyl}-3-(4-trifluoromethyl-phenyl)-propylsulfanylmethyl]-cyclopropyl}-acetic acid
Inchi KeyFOERRCYLHSJHPT-JHEAYKPVSA-N
Inchi IDInChI=1S/C31H26Cl2F3NO2S2/c32-27-28-25(41-29(27)33)13-11-23(37-28)10-6-20-2-1-3-21(16-20)24(40-18-30(14-15-30)17-26(38)39)12-7-19-4-8-22(9-5-19)31(34,35)36/h1-6,8-11,13,16,24H,7,12,14-15,17-18H2,(H,38,39)/b10-6+/t24-/m1/s1
PubChem CID44319774
ChEMBLCHEMBL84841
IUPHARN/A
BindingDB50285669
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
IC508.67 nM, Bioorg. Med. Chem. Lett., (1995) 5:21:2551BindingDB,ChEMBL

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