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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL139757
Molecular formula	C33H37NO3S2
IUPAC name	2-[1-[[(1R)-1-[3-[(E)-2-(5,7-dihydrothieno[3,4-b]pyridin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight	559.783
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.8
Synonyms	[1-((R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-{3-[(E)-2-(2-thia-4-aza-indan-5-yl)-vinyl]-phenyl}-propylsulfanylmethyl)-cyclopropyl]-acetic acid (R)-2-(1-((1-(3-(2-(5,7-dihydrothieno[3,4-b]pyridin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propylthio)methyl)cyclopropyl)acetic acid BDBM50069375
Inchi Key	IISZUJHNGQJOEV-SZNWCZRISA-N
Inchi ID	InChI=1S/C33H37NO3S2/c1-32(2,37)28-9-4-3-7-24(28)12-15-30(39-22-33(16-17-33)19-31(35)36)25-8-5-6-23(18-25)10-13-27-14-11-26-20-38-21-29(26)34-27/h3-11,13-14,18,30,37H,12,15-17,19-22H2,1-2H3,(H,35,36)/b13-10+/t30-/m1/s1
PubChem CID	44360643
ChEMBL	CHEMBL139757
IUPHAR	N/A
BindingDB	50069375
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	0.21 nM	PMID20621485	BindingDB,ChEMBL
IC50	0.61 nM	PMID9871597	ChEMBL
IC50	0.61 nM	PMID9871597	BindingDB

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