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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL1214531
Molecular formula	C32H33F3N2O6S
IUPAC name	1,1,1-trifluoro-N-[3-[[(3S,4R)-4-(hydroxymethyl)-2,2-dimethyl-6-[(7-methylquinolin-2-yl)methoxy]-3,4-dihydrochromen-3-yl]methyl]-4-methoxyphenyl]methanesulfonamide
Molecular weight	630.679
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	6.1
Synonyms	BDBM50323898 1,1,1-trifluoro-N-(3-(((3S,4R)-4-(hydroxymethyl)-2,2-dimethyl-7-((6-methylquinolin-2-yl)methoxy)chroman-3-yl)methyl)-4-methoxyphenyl)methanesulfonamide
Inchi Key	CVDSOAXGLZLWEL-SVBPBHIXSA-N
Inchi ID	InChI=1S/C32H33F3N2O6S/c1-19-5-6-20-7-8-23(36-28(20)13-19)18-42-24-10-12-30-25(16-24)26(17-38)27(31(2,3)43-30)15-21-14-22(9-11-29(21)41-4)37-44(39,40)32(33,34)35/h5-14,16,26-27,37-38H,15,17-18H2,1-4H3/t26-,27-/m0/s1
PubChem CID	49863922
ChEMBL	CHEMBL1214531
IUPHAR	N/A
BindingDB	50323898
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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	4.0 nM	PMID20621485	BindingDB,ChEMBL

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