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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

NameCHEMBL344169
Molecular formulaC35H43NO3S
IUPAC name2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-(5-methyl-6-propan-2-ylpyridin-2-yl)ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight557.793
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.3
SynonymsBDBM50069361
[1-((R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-{3-[(E)-2-(6-isopropyl-5-methyl-pyridin-2-yl)-vinyl]-phenyl}-propylsulfanylmethyl)-cyclopropyl]-acetic acid
(R)-2-(1-((3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(3-(2-(6-isopropyl-5-methylpyridin-2-yl)vinyl)phenyl)propylthio)methyl)cyclopropyl)acetic acid
Inchi KeyBPSQDOLGQQVYNF-NSQLZQESSA-N
Inchi IDInChI=1S/C35H43NO3S/c1-24(2)33-25(3)13-16-29(36-33)17-14-26-9-8-11-28(21-26)31(40-23-35(19-20-35)22-32(37)38)18-15-27-10-6-7-12-30(27)34(4,5)39/h6-14,16-17,21,24,31,39H,15,18-20,22-23H2,1-5H3,(H,37,38)/b17-14+/t31-/m1/s1
PubChem CID44360752
ChEMBLCHEMBL344169
IUPHARN/A
BindingDB50069361
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
IC504.9 nMPMID20621485BindingDB,ChEMBL

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