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GPCR

Name	Cysteinyl leukotriene receptor 2
Species	Homo sapiens (Human)
Gene	CYSLTR2
Synonym	CysLTR2 CysLT2 receptor LTC4 HPN321 hGPCR21 HG57 G-protein coupled receptor HG57 CYSLT2R G-protein coupled receptor GPCR21 [ Show all ]
Disease	Unspecified Asthma
Length	346
Amino acid sequence	MERKFMSLQPSISVSEMEPNGTFSNNNSRNCTIENFKREFFPIVYLIIFFWGVLGNGLSIYVFLQPYKKSTSVNVFMLNLAISDLLFISTLPFRADYYLRGSNWIFGDLACRIMSYSLYVNMYSSIYFLTVLSVVRFLAMVHPFRLLHVTSIRSAWILCGIIWILIMASSIMLLDSGSEQNGSVTSCLELNLYKIAKLQTMNYIALVVGCLLPFFTLSICYLLIIRVLLKVEVPESGLRVSHRKALTTIIITLIIFFLCFLPYHTLRTVHLTTWKVGLCKDRLHKALVITLALAAANACFNPLLYYFAGENFKDRLKSALRKGHPQKAKTKCVFPVSVWLRKETRV
UniProt	Q9NS75
Protein Data Bank	N/A
GPCR-HGmod model	Q9NS75
3D structure model	This predicted structure model is from GPCR-EXP Q9NS75.
BioLiP	N/A
Therapeutic Target Database	T74238
ChEMBL	CHEMBL4330
IUPHAR	270
DrugBank	BE0000099

Ligand

Name	leukotriene E4
Molecular formula	C23H37NO5S
IUPAC name	(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Molecular weight	439.611
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	2.1
Synonyms	AC1NQXPM D0C0KJ LMFA03020002 ZINC4629873 (7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraenoate 29819-EP2272832A1 5S-hydroxy,6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid C05952 GTPL5863 NCGC00163400-02 [5S-[5R,6S(S),7E,9E,11Z,14Z]]- 6-[(2-amino-2-carboxyethyl)thio]-5-hydroxy-7,9,11,14-Eicosatetraenoic acid (5S,6R,7E,9E,11Z,14Z)-6-(cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoic acidS-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteine 29819-EP2311832A1 75715-89-8 Leukotriene E SCHEMBL11263165 (5S,6R,7E,9E,11Z,14Z)-6-[[(2R)-2-Amino-2-carboxyethyl]thio]-5-hydroxy-7,9,11,14-eicosatetraenoic Acid (7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoate BDBM50297387 D0Z3BL LTE4 [3H]LTE4 29819-EP2281815A1 5S-Hydroxy-6R-(S-cysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic acid C23H37NO5S HMS3402E12 OTZRAYGBFWZKMX-FRFVZSDQSA-N (5S,6R,7E,9E,11Z,14Z)-6-(L-cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid 29819-EP2311833A1 8EYT8ATL7G CHEMBL509456 UNII-8EYT8ATL7G (5S-(5R,6S(S),7E,9E,11Z,14Z))-6-((2-Amino-2-carboxyethyl)thio)-5-hydroxy-7,9,11,14-eicosatetraenoic acid 1826AH BSPBio_001370 GTPL3352 NCGC00163400-01 [5S-[5R,6S(S),7E,9E,11Z,14Z]]- 6-[(2-amino-2-carboxyethyl)thio]-5-hydroxy-7,9,11,14-Eicosatetraenoate 29819-EP2305640A2 7,9,11,14-Eicosatetraenoic acid, 6-((2-amino-2-carboxyethyl)thio)-5-hydroxy-, (5S-(5R,6S(S),7E,9E,11Z,14Z))- CHEBI:15650 LEUKOTRIEN E4 S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteine (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid [ Show all ]
Inchi Key	OTZRAYGBFWZKMX-FRFVZSDQSA-N
Inchi ID	InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
PubChem CID	5280879
ChEMBL	CHEMBL509456
IUPHAR	3352, 5863
BindingDB	50297387
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	77.0 - 293.0 nM	PMID10913337, PMID11093801	IUPHAR
EC50	1208.0 - 2300.0 nM	PMID10851239, PMID21078884	IUPHAR
IC50	693.0 - 700.0 nM	PMID10851239, PMID11093801	IUPHAR
IC50	1890.0 nM	PMID10913337	IUPHAR
Ki	316.228 nM	PMID9547367	IUPHAR

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