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GLASS

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GPCR

Name	Leukotriene B4 receptor 2
Species	Homo sapiens (Human)
Gene	LTB4R2
Synonym	NOP9 12-HHT receptor Seven transmembrane receptor BLTR2 LTB4-R2 LTB4-R 2 LTB4 receptor JULF2 Leukotriene B4 receptor BLT2 BLTR2 BLT2 receptor [ Show all ]
Disease	Inflammatory bowel disease
Length	358
Amino acid sequence	MSVCYRPPGNETLLSWKTSRATGTAFLLLAALLGLPGNGFVVWSLAGWRPARGRPLAATLVLHLALADGAVLLLTPLFVAFLTRQAWPLGQAGCKAVYYVCALSMYASVLLTGLLSLQRCLAVTRPFLAPRLRSPALARRLLLAVWLAALLLAVPAAVYRHLWRDRVCQLCHPSPVHAAAHLSLETLTAFVLPFGLMLGCYSVTLARLRGARWGSGRHGARVGRLVSAIVLAFGLLWAPYHAVNLLQAVAALAPPEGALAKLGGAGQAARAGTTALAFFSSSVNPVLYVFTAGDLLPRAGPRFLTRLFEGSGEARGGGRSREGTMELRTTPQLKVVGQGRGNGDPGGGMEKDGPEWDL
UniProt	Q9NPC1
Protein Data Bank	N/A
GPCR-HGmod model	Q9NPC1
3D structure model	This predicted structure model is from GPCR-EXP Q9NPC1.
BioLiP	N/A
Therapeutic Target Database	T30563
ChEMBL	CHEMBL3191
IUPHAR	268
DrugBank	BE0003489

Ligand

Name	MLS000028864
Molecular formula	C22H35NO3
IUPAC name	(5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol
Molecular weight	361.526
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	4.1
Synonyms	(5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol CHEMBL1256923 119477-85-9 (5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-2-pyridinyl]hexane-1,5-diol BDBM79408 U-75302 (5R)-6-[6-[(1E,3S,5Z)-3-oxidanylundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol cid_6852392 Opera_ID_1762 (5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-2-pyridyl]hexane-1,5-diol ZINC4489629 1,5-Hexanediol,6-[6-[(1E,3R,5Z)-3-hydroxy-1,5-undecadien-1-yl]-2-pyridinyl]-,(5S)- HMS2234C08 AC1OAA1D SMR000058935 [ Show all ]
Inchi Key	JNBOAUIJLDEICX-DWJNXXKWSA-N
Inchi ID	InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m0/s1
PubChem CID	6852392
ChEMBL	CHEMBL1256923
IUPHAR	N/A
BindingDB	79408
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	120.0 nM	PMID9177352	BindingDB
Ki	5434.0 nM	PMID11006272	BindingDB

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