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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	Probes1_000120
Molecular formula	C21H24N2O2
IUPAC name	N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide
Molecular weight	336.435
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.2
Synonyms	MCULE-2789817413 SMR000114882 AKOS005394441 N-(2-methyl-1-propanoyl(4-1,2,3,4-tetrahydroquinolyl))-N-phenylacetamide N-(2-methyl-1-propionyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide CHEMBL1557680 Probes2_000122 MLS000550503 ST018793 BDBM86693 N-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide Oprea1_079875 HMS2373G22 SCHEMBL4133783 AC1N750T MolPort-002-791-537 N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide STK089702 CBDivE_011841 [ Show all ]
Inchi Key	DRQJSDYVORTCEY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
PubChem CID	4271604
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86693
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID15798001	BindingDB

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