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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 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	CP-195543
Molecular formula	C24H19F3O4
IUPAC name	2-[(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]-4-(trifluoromethyl)benzoic acid
Molecular weight	428.407
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.1
Synonyms	2-[(3S,4R)-4-hydroxy-3-(phenylmethyl)chroman-7-yl]-4-(trifluoromethyl)benzoic acid Leukotriene B4 antagonist (rheumatoid arthritis), Pfizer BDBM50215854 DB13053 UNII-YB1F0V77MK (3S,4R)-2-(3-benzyl-4-hydroxy-chroman-7-yl)-4-trifluoromethyl-benzoic acid CP 195543 LB4 antagonist (RA), Pfizer 204981-48-6 CP195543 NZQDWKCNBOELAI-KSFYIVLOSA-N (3S, 4R)-2-(3-benzyl-4-hydroxy-chroman-7-yl)-4-trifluoromethyl-benzoic acid Benzoic acid, 2-((3S,4R)-3,4-dihydro-4-hydroxy-3-(phenylmethyl)-2H-1-benzopyran-7-yl)-4-(trifluoromethyl)- GTPL6155 YB1F0V77MK (3S,4R)-2-(3-benzyl-4-hydroxy-chroman-7-yl)-4-trifluoromethyl-benzoicacid CP-195,543 Leukotriene B4 antagonist (inflammation), Pfizer D0MM2K SCHEMBL896066 (3S, 4R)-2-(3-benzyl-4-hydroxy-chroman-7-yl)-4-trifluoromethyl-benzoicacid CHEMBL301829 LB4 antagonist (inflammation), Pfizer [ Show all ]
Inchi Key	NZQDWKCNBOELAI-KSFYIVLOSA-N
Inchi ID	InChI=1S/C24H19F3O4/c25-24(26,27)17-7-9-18(23(29)30)20(12-17)15-6-8-19-21(11-15)31-13-16(22(19)28)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28H,10,13H2,(H,29,30)/t16-,22+/m0/s1
PubChem CID	9823886
ChEMBL	N/A
IUPHAR	6155
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<10000.0 nM	PMID11278893	IUPHAR
IC50	1000.0 nM	PMID11278893	IUPHAR

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