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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	Cavia porcellus (Guinea pig)
Gene	CYSLTR1
Synonym	CysLTR1 Cysteinyl leukotriene D4 receptor LTD4 receptor
Disease	N/A for non-human GPCRs
Length	340
Amino acid sequence	MDETGNPTIPPASNNTCYDSIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLVKTYHEKSAFQVYMINLAVADLLCVCTLPLRVAYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCVAIVFPVQNISLVTQKKARLVCIAIWMFVILTSSPFLMANTYKDEKNNTKCFEPPQDNQAKNYVLILHYVSLFIGFIIPFITIIVCYTMIIFTLLKSSMKKNLSSRKRAIGMIIVVTAAFLVSFMPYHIQRTIHLHFLHNKTKPCDSILRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRRRLSTIRKYSLSSMTYIPKKKTSLPQKGKDICKE
UniProt	Q2NNR5
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5645
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Gemilukast
Molecular formula	C36H37F2NO5
IUPAC name	4-[1-(3-carboxypropyl)-4-fluoro-7-[2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acid
Molecular weight	601.691
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	7.5
Synonyms	ONO 6950 CHEMBL3597634 SILHYVDKGHXGBL-UHFFFAOYSA-N 1232861-58-3 Gemilukast [INN] 4,4'-[4-Fluoro-7-[[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methyl-1H-indole-1,3-diyl]dibutanoic acid BDBM50104921 ONO-6950 CS-0012408 UNII-42I6GGX6D6 1H-Indole-1,3-dibutanoic acid, 4-fluoro-7-(2-(4-(4-(3-fluoro-2-methylphenyl)butoxy)phenyl)ethynyl)-2-methyl- HY-16780 42I6GGX6D6 SCHEMBL597344 4,4'-[4-fluoro-7-({4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl}ethynyl)-2-methyl-1H-indole-1,3-diyl]dibutanoic Acid [ Show all ]
Inchi Key	SILHYVDKGHXGBL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H37F2NO5/c1-24-27(9-5-11-31(24)37)8-3-4-23-44-29-19-15-26(16-20-29)14-17-28-18-21-32(38)35-30(10-6-12-33(40)41)25(2)39(36(28)35)22-7-13-34(42)43/h5,9,11,15-16,18-21H,3-4,6-8,10,12-13,22-23H2,1-2H3,(H,40,41)(H,42,43)
PubChem CID	46830962
ChEMBL	CHEMBL3597634
IUPHAR	N/A
BindingDB	50104921
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	6.3 nM	PMID26200813	BindingDB,ChEMBL

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