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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Cysteinyl leukotriene receptor 1
Species	Homo sapiens (Human)
Gene	CYSLTR1
Synonym	LTD4 receptor LTD4 leukotriene D4 receptor HMTMF81 HG55 G-protein coupled receptor HG55 CysLT1 receptor Cysteinyl leukotriene D4 receptor CysLTR1 CYSLT1R [ Show all ]
Disease	N/A
Length	337
Amino acid sequence	MDETGNLTVSSATCHDTIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLIKTYHKKSAFQVYMINLAVADLLCVCTLPLRVVYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCIAIVFPVQNINLVTQKKARFVCVGIWIFVILTSSPFLMAKPQKDEKNNTKCFEPPQDNQTKNHVLVLHYVSLFVGFIIPFVIIIVCYTMIILTLLKKSMKKNLSSHKKAIGMIMVVTAAFLVSFMPYHIQRTIHLHFLHNETKPCDSVLRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRKRLSTFRKHSLSSVTYVPRKKASLPEKGEEICKV
UniProt	Q9Y271
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y271
3D structure model	This predicted structure model is from GPCR-EXP Q9Y271.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1798
IUPHAR	269
DrugBank	BE0000705

Ligand

Name	CHEMBL342705
Molecular formula	C36H43NO3S
IUPAC name	2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight	569.804
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	7.3
Synonyms	BDBM50069373 [1-((R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-{3-[(E)-2-(8-methyl-5,6,7,8-tetrahydro-quinolin-2-yl)-vinyl]-phenyl}-propylsulfanylmethyl)-cyclopropyl]-acetic acid 2-(1-(((1R)-3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(3-((E)-2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)vinyl)phenyl)propylthio)methyl)cyclopropyl)acetic acid
Inchi Key	DUCNKECWDRIBHL-YCYFMJLASA-N
Inchi ID	InChI=1S/C36H43NO3S/c1-25-8-6-11-28-15-18-30(37-34(25)28)17-14-26-9-7-12-29(22-26)32(41-24-36(20-21-36)23-33(38)39)19-16-27-10-4-5-13-31(27)35(2,3)40/h4-5,7,9-10,12-15,17-18,22,25,32,40H,6,8,11,16,19-21,23-24H2,1-3H3,(H,38,39)/b17-14+/t25?,32-/m1/s1
PubChem CID	44360585
ChEMBL	CHEMBL342705
IUPHAR	N/A
BindingDB	50069373
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.47 nM	PMID9871597	BindingDB
IC50	0.47 nM	PMID9871597	ChEMBL
IC50	0.51 nM	PMID20621485	BindingDB,ChEMBL

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