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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	LEUKOTRIENE B4
Molecular formula	C20H32O4
IUPAC name	(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
Molecular weight	336.472
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	4.1
Synonyms	[5S,12R]-Dihydroxy-[6Z,8E,10E,14Z]-eicosatetraenoic acid (S-(R,S-(E,Z,E,Z)))-5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid 29820-EP2292617A1 29820-EP2311833A1 5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid BML1-E04 IDI1_033834 LTB4 PDSP2_000571 (5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid 29820-EP2305659A1 5(S),12(R)-Dihydroxy-6-cis-8-trans-10-trans-14-cis-eicosatetraenoic Acid 71160-24-2 CHEBI:15647 GTPL2487 Leukotriene B4 agonist (HIV infection), LTB4 Sweden AB NCGC00161273-02 SR-01000946887 VNYSSYRCGWBHLG-AMOLWHMGSA-N (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate 29820-EP2277848A1 29820-EP2311818A1 B7011 D09TYM HMS1989E06 LMFA03020001 PDSP1_000573 1820AH 29820-EP2292619A1 5(S),12(R)-dihydroxy-6(Z),8(E),10(E),14(Z)-eicosatetraenoic acid 6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-, (5S,6Z,8E,10E,12R,14Z)- BSPBio_001364 DB12961 Leukotriene B MFCD00135630 PDSP2_000674 (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyeicosa-6,8,10,14-tetraenoic acid 29820-EP2270008A1 29820-EP2305677A1 5,12-Dihete AC1NQX3M HMS1361E06 Leukotriene B4, ~100 mug/mL in ethanol, >=97% NCGC00161273-03 SR-01000946887-1 ZINC4623738 (6z,8e,10e,14z)-(5s,12r)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate 29820-EP2281819A1 29820-EP2311832A1 5S,12R-diHETE BDBM50013889 D0O4NR HMS3402E06 LS-63784 PDSP1_000684 1HGW4DR56D 29820-EP2295055A2 5(S),12(R)-dihydroxy-6(Z),8(E),10(E),14(Z)-icosatetraenoic acid 6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-, (S-(R,S-(E,E,Z,Z)))- C02165 DIHETE 12(s), 5(s) NCGC00161273-01 SCHEMBL2510602 (5S,12R,6Z,8E,10E,14Z)-5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid 29820-EP2272832A1 29820-EP2311453A1 5,12-Hete AKOS024457041 CHEMBL65061 HMS1791E06 LEUKOTRIENE_B4 NCGC00161273-04 UNII-1HGW4DR56D [ Show all ]
Inchi Key	VNYSSYRCGWBHLG-AMOLWHMGSA-N
Inchi ID	InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
PubChem CID	5280492
ChEMBL	CHEMBL65061
IUPHAR	2487
BindingDB	50013889
DrugBank	DB12961
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
EC50	142.0 nM	PMID18378794	IUPHAR
IC50	25.0 nM	PMID18378794	IUPHAR
Kd	22.7 nM	PMID10934230	IUPHAR
Ki	<10000.0 nM	PMID10851239	BindingDB
Ki	2.0 nM	PMID1320692	BindingDB
Ki	2.3 nM	PMID11006272	BindingDB
Ki	93.0 nM	PMID1320692	BindingDB
Ki	454.0 nM	PMID1320692	BindingDB
Ki	7000.0 nM	PMID1320692	BindingDB

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