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GLASS

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GPCR

Name	Leukotriene B4 receptor 1
Species	Homo sapiens (Human)
Gene	LTB4R
Synonym	BLT1 receptor BLTR Chemoattractant receptor-like 1 G-protein coupled receptor 16 GPR16 P2Y7 P2Y purinoceptor 7 LTB4-R1 LTB4-R 1 [ Show all ]
Disease	Inflammatory disease Inflammatory bowel disease Human immunodeficiency virus infection Pancreatic cancer Psoriasis Cystic fibrosis Osteoporosis Renal cancer Rheumatoid arthritis Asthma Allergy [ Show all ]
Length	352
Amino acid sequence	MNTTSSAAPPSLGVEFISLLAIILLSVALAVGLPGNSFVVWSILKRMQKRSVTALMVLNLALADLAVLLTAPFFLHFLAQGTWSFGLAGCRLCHYVCGVSMYASVLLITAMSLDRSLAVARPFVSQKLRTKAMARRVLAGIWVLSFLLATPVLAYRTVVPWKTNMSLCFPRYPSEGHRAFHLIFEAVTGFLLPFLAVVASYSDIGRRLQARRFRRSRRTGRLVVLIILTFAAFWLPYHVVNLAEAGRALAGQAAGLGLVGKRLSLARNVLIALAFLSSSVNPVLYACAGGGLLRSAGVGFVAKLLEGTGSEASSTRRGGSLGQTARSGPAALEPGPSESLTASSPLKLNELN
UniProt	Q15722
Protein Data Bank	N/A
GPCR-HGmod model	Q15722
3D structure model	This predicted structure model is from GPCR-EXP Q15722.
BioLiP	N/A
Therapeutic Target Database	T59626
ChEMBL	CHEMBL3911
IUPHAR	267
DrugBank	BE0003490

Ligand

Name	117690-79-6
Molecular formula	C19H28N4O3
IUPAC name	1-[5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenyl]ethanone
Molecular weight	360.458
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.6
Synonyms	DTXSID30151872 LS-186914 NCGC00092338-01 AC1L3TU7 C19H28N4O3 CHEBI:93616 H037W1I5AL LY-255283 UNII-H037W1I5AL 1-[5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenyl]ethanone BDBM50212626 CTK8E7563 KB-144855 MFCD00876422 BRD-K92492521-001-01-1 Ethanone, 1-(5-ethyl-2-hydroxy-4-((6-methyl-6-(1H-tetrazol-5-yl)heptyl)oxy)phenyl)- LS-187566 RT-013620 (1-(5-Ethyl-2-hydroxy-4-(6-methyl-6-(1H-tetrazol-5-yl)heptyloxy)phenyl)ethanone) AKOS022180215 CAS_117690-79-6 HMS3268D04 LY255283 ZINC5956176 1-[5-ETHYL-2-HYDROXY-4-[[6-METHYL-6-(1H-TETRAZOL-5-YL)HEPTYL]OXY]PHENYL]ETHANONE BDBM81519 CTK8G6435 L002034 MolPort-003-983-615 C-33350 CC-03678 FT-0705894 LY 255283 SCHEMBL4562255 1-(5-Ethyl-2-hydroxy-4-(6-methyl-6-(1H-tetrazol-5-yl)heptyloxy)phenyl)ethanone B6978 CHEMBL15766 J-003652 LY255283, >=98% (HPLC), powder 1134AH BN0314 [ Show all ]
Inchi Key	WCGXJPFHTHQNJL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)
PubChem CID	122023
ChEMBL	CHEMBL15766
IUPHAR	N/A
BindingDB	81519
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	85.0 nM	, Bioorg. Med. Chem. Lett., (1993) 3:10:1981	BindingDB,ChEMBL
IC50	85.1 nM	PMID8057289, Bioorg. Med. Chem. Lett., (1993) 3:6:1147	BindingDB,ChEMBL
IC50	87.0 nM	PMID8709092	BindingDB,ChEMBL
Inhibition	93.0 %	PMID1316967	ChEMBL
Inhibition	102.0 %	PMID1316967	ChEMBL
Kb	197.0 nM	Bioorg. Med. Chem. Lett., (1993) 3:6:1147	ChEMBL
Ki	77.0 nM	, Bioorg. Med. Chem. Lett., (1993) 3:10:1981	BindingDB,ChEMBL
Ki	77.9 nM	Bioorg. Med. Chem. Lett., (1993) 3:6:1147	ChEMBL
Ki	78.0 nM	N/A	BindingDB

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