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GPCR

Name	Cysteinyl leukotriene receptor 1
Species	Mus musculus (Mouse)
Gene	Cysltr1
Synonym	CYSLT1R CysLTR1 Cysteinyl leukotriene D4 receptor CysLT1 receptor HG55 leukotriene D4 receptor LTD4 LTD4 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	352
Amino acid sequence	MYLQGTKQTFLENMNGTENLTTSLINNTCHDTIDEFRNQVYSTMYSVISVVGFFGNSFVLYVLIKTYHEKSAFQVYMINLAIADLLCVCTLPLRVVYYVHKGKWLFGDFLCRLTTYALYVNLYCSIFFMTAMSFFRCVAIVFPVQNINLVTQKKARFVCIGIWIFVILTSSPFLMYKSYQDEKNNTKCFEPPQNNQAKKYVLILHYVSLFFGFIIPFVTIIVCYTMIILTLLKNTMKKNMPSRRKAIGMIIVVTAAFLVSFMPYHIQRTIHLHLLHSETRPCDSVLRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRRRLSTFRKHSLSSMTYVPKKKASLPEKGEEICNE
UniProt	Q99JA4
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	CHEMBL3808269
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	MONTELUKAST SODIUM
Molecular formula	C35H35ClNNaO3S
IUPAC name	sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
Molecular weight	608.169
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	None
Synonyms	Montelukast sodium [USAN] SCHEMBL9414 1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid sodium salt sodium 1-[[[(1R)-1-[3-[(1E)-2-(7-chloroquinoline-2-yl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetate AKOS015833416 U1O3J18SFL BCP9000959 CPD000469188 DSSTox_CID_26450 J-008841 LS-173407 MLS001424198 Montelukast (sodium) NCGC00164568-01 Singulair (TN) 158966-92-8 (Parent) sodium {1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetate AM62787 CCG-101049 Cyclopropaneacetic acid, 1-((((1R)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-, monosodium salt DTXSID8046450 Kipres MK 476 Montelukast sodium (JP17/USAN) s4211 1-((((1R)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid monosodium salt Sodium 1-((((R)-m -((E)-2-(7-chloro-2-quinolyl)vinyl)-alpha-(o-(1-hydroxy-1-methylethyl)phenethyl)benzyl)thio)methyl)cyclopropaneacetate ACN-052465 Tox21_112197 AOB6098 CHEMBL1200681 Cyclopropaneacetic acid,1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-,sodium salt HMS2235H19 L-706631 MK-476, Singulair Montelukast sodium, 98% SCHEMBL9415 1-[[[(R)-1-[3-[2-(7-Chloro-2-quinolyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-1-cyclopropaneacetic acid sodium salt sodium 2-(1-((((R)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfanyl)methyl)cyclopropyl)acetate AKOS015994699 UNII-U1O3J18SFL C35H35ClNO3S.Na CS-0548 DSSTox_GSID_46450 J-522711 Lukasm MolPort-002-885-842 MONTELUKAST Na NCGC00164568-04 SMR000469188 176636-EP2287154A1 sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate AMX10104 CHEBI:6993 Cyclopropaneacetic acid, 1-(((1-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-, sodium salt, (R-(E))- FT-0082752 Kokast MK-0476 Montelukast sodium salt SAM001246657 1-[1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic Acid Sodium Salt Sodium 1-((((R)-m-((E)-2-(7-chloro-2-quinolyl)vinyl)-alpha-(o-(1-hydroxy-1-methylethyl)phenethyl)benzyl)thio)methyl)cyclopropaneacetate ACT06295 Tox21_112197_1 BC201069 CM0155 D00529 HY-13315 LBFBRXGCXUHRJY-HKHDRNBDSA-M MLS001304727 Montair NC00299 Singulair 151767-02-1 sodium 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate AKOS032949734 CAS-151767-02-1 CYC099 DSSTox_RID_81624 KB-19271 M2340 RL01936 sodium (R,E)-2-(1-((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propylthio)methyl)cyclopropyl)acetate 2-[1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]cyclopropyl]acetate; sodium SW197679-2 AN-380 Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, sodium salt (1:1) HMS2051F18 KS-1087 MK-476 [ Show all ]
Inchi Key	LBFBRXGCXUHRJY-HKHDRNBDSA-M
Inchi ID	InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1
PubChem CID	23663996
ChEMBL	CHEMBL1200681
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	50.0 %	PMID26985325	ChEMBL

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