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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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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	CHEMBL344169
Molecular formula	C35H43NO3S
IUPAC name	2-[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 weight	557.793
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	7.3
Synonyms	BDBM50069361 [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 Key	BPSQDOLGQQVYNF-NSQLZQESSA-N
Inchi ID	InChI=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 CID	44360752
ChEMBL	CHEMBL344169
IUPHAR	N/A
BindingDB	50069361
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	4.9 nM	PMID20621485	BindingDB,ChEMBL

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