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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	12S-HHTrE
Molecular formula	C17H28O3
IUPAC name	(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
Molecular weight	280.408
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.1
Synonyms	12-hydroxyheptadecatrienoic acid C20388 hydroxyheptadecatrienoic acid anion 12(S)-Hydroxy-(5Z,8E,10E)-heptadecatrienoic acid 12S-hydroxy-5Z,8E,10E-heptadecatrienoic acid FA(17:3(OH)) SCHEMBL1476568 (12S,5Z,8E,10E)-12-Hydroxy-5,8,10-heptadecatrienoic acid 12(S)-hydroxy-(5Z,8Z,10E)-heptadeca-5,8,10-trienoic acid 12-HHTrE AC1NR1M5 hydroxyheptadecatrienoate 12(S)-HHT 12S-HHT CHEBI:63977 LMFA03050002 12(S)-Hydroxy-(5Z,8E,10E)-heptadecatrienoic acid, >=93% (HPLC), ethanol solution 54397-84-1 GTPL6159 ZINC5513130 (5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid 12(S)-hydroxy-(5Z,8Z,10E)-heptadeca-5,8,10-trienoic acid anion 12-hydroxyheptadecatrienoate BML2-E01 Hydroxyheptadecatrienoic acid 12(S)-HHTrE D0SM3V NCGC00161325-01 12(S)-hydroxy-(5Z,8Z,10E)-heptadeca-5,8,10-trienoate 12-Hht hydroxyheptadecatrienate 1167AH [ Show all ]
Inchi Key	KUKJHGXXZWHSBG-WBGSEQOASA-N
Inchi ID	InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1
PubChem CID	5283141
ChEMBL	N/A
IUPHAR	6159
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
EC50	19.0 nM	PMID18378794	IUPHAR
IC50	2.8 nM	PMID18378794	IUPHAR

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