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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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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	MK 571
Molecular formula	C26H27ClN2O3S2
IUPAC name	3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid
Molecular weight	515.083
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.3
Synonyms	3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid 32258-EP2301933A1 AKOS024457058 CHEBI:6619 L002207 NSC_60719 SR-01000946824-1 120663-36-7 3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)((3-dimethylamino-3-oxopropyl)thio)methyl)thio)propanoic acid 3-[{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-diethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid 5-(3-(2-(7-chloroquinolin-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoic acid BDBM50001285 DTXSID5048390 MK 0679 Propanoic acid, 3-(((3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)((3-(dimethylamino)-3-oxopropyl)thio)methyl)thio)- (3-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)((3-dimethylamino-3-oxopropyl)thio)methyl)thiopropanoic acid 3-[[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-methyl]sulfanylpropanoic acid 3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid(MK-571, L-660711) AC1NQZ8U C26H27ClN2O3S2 L 660711 MK-571 SCHEMBL9231584 115104-28-4 129954-35-4 3-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl][[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]propanoic Acid 32258-EP2305640A2 AXUZQJFHDNNPFG-UXBLZVDNSA-N LS-172278 PDSP1_001581 VERLUKAST 3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-(dimethylamino)-3-oxopropylthio)methylthio)propanoic acid 3-[{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid BDBM86671 J-004343 Propanoic acid, 3-(((3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)((3-(dimethylamino)-3-oxopropyl)thio)methyl)thio)-, (E)- (E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-(dimethylamino)-3-oxopropylthio)methylthio)propanoic acid 3-[[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-[3-(dimethylamino)-3-oxo-propyl]sulfanyl-methyl]sulfanylpropanoic acid 32258-EP2281815A1 ACN-053040 CAS_60719 L-660711 MolPort-006-395-229 SR-01000946824 120443-14-3 135028-15-8 3-[[[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-[[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]propanoic acid 32258-EP2311827A1 BCP17188 CHEMBL15177 MK 0571 PDSP2_001565 3-[({3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}({[2-(dimethylcarbamoyl)ethyl]sulfanyl})methyl)sulfanyl]propanoic acid 3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid(MK-571) A841842 C11239 L 660,711 MK-0571 RT-016228 (E)-3-[[[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl][[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]propanoic acid [ Show all ]
Inchi Key	AXUZQJFHDNNPFG-UXBLZVDNSA-N
Inchi ID	InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+
PubChem CID	5281888
ChEMBL	CHEMBL15177
IUPHAR	N/A
BindingDB	50001285
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	0.8 nM	PMID1331447	BindingDB
IC50	0.8 nM	PMID1331447	ChEMBL
IC50	3.0 nM	, Bioorg. Med. Chem. Lett., (1992) 2:9:1141	BindingDB,ChEMBL
IC50	3.9 nM	, Bioorg. Med. Chem. Lett., (1992) 2:9:1141	BindingDB,ChEMBL
Kd	1.0 nM	PMID2157010	BindingDB,ChEMBL
Kd	1.585 nM	Bioorg. Med. Chem. Lett., (1992) 2:9:1141	ChEMBL
Ki	0.2 nM	PMID1849993	ChEMBL
Ki	0.2 nM	PMID1849993	BindingDB

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