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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	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	CHEMBL53013
Molecular formula	C14H15NO4
IUPAC name	5-(4-acetyl-2-formyl-5-hydroxyphenoxy)pentanenitrile
Molecular weight	261.277
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.6
Synonyms	SCHEMBL9417774 ZINC13650541
Inchi Key	CRWJZSRHRSYRKS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H15NO4/c1-10(17)12-7-11(9-16)14(8-13(12)18)19-6-4-2-3-5-15/h7-9,18H,2-4,6H2,1H3
PubChem CID	15747278
ChEMBL	CHEMBL53013
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	3.0 %	PMID1316967	ChEMBL
Inhibition	6.0 %	PMID1316967	ChEMBL

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