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GLASS

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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	CHEMBL143115
Molecular formula	C34H38F3NO3S
IUPAC name	2-[1-[[(1R)-1-[3-[(E)-2-[6-ethyl-5-(trifluoromethyl)pyridin-2-yl]ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight	597.737
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	7.5
Synonyms	(R)-2-(1-((1-(3-(2-(6-ethyl-5-(trifluoromethyl)pyridin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propylthio)methyl)cyclopropyl)acetic acid (1-{(R)-1-{3-[(E)-2-(6-Ethyl-5-trifluoromethyl-pyridin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid BDBM50069362
Inchi Key	ITUHVJQASQRAST-NBIVFMIFSA-N
Inchi ID	InChI=1S/C34H38F3NO3S/c1-4-29-28(34(35,36)37)16-15-26(38-29)14-12-23-8-7-10-25(20-23)30(42-22-33(18-19-33)21-31(39)40)17-13-24-9-5-6-11-27(24)32(2,3)41/h5-12,14-16,20,30,41H,4,13,17-19,21-22H2,1-3H3,(H,39,40)/b14-12+/t30-/m1/s1
PubChem CID	44360895
ChEMBL	CHEMBL143115
IUPHAR	N/A
BindingDB	50069362
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	25.2 nM	PMID20621485	BindingDB,ChEMBL

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