HE3

2-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATE

Find entries where: HE3

is present as a standalone ligand in 2 entries

Find related ligands:

Chemical Component Summary
Name	2-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATE
Synonyms	2-{(9AS)-9A-[(1S)-1-HYDROXYETHYL]-2,7-DIMETHYL-9A,10-DIHYDRO-5H-PYRIMIDO[4,5-D][1,3]THIAZOLO[3,2-A]PYRIMIDIN-8-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
Identifiers	n/a
Formula	C₁₄ H₂₂ N₄ O₈ P₂ S
Molecular Weight	468.359
Type	NON-POLYMER
Isomeric SMILES	Cc1ncc2c(n1)N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C)[C@H](C)O
InChI	InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)17-13-11(7-18(8)14)6-15-10(3)16-13/h6,9,19H,4-5,7H2,1-3H3,(H,23,24)(H,15,16,17)(H2,20,21,22)/t9-,14-/m0/s1
InChIKey	UQFVHIGKDHNMJT-XPTSAGLGSA-N

Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	3
Bond Count	53
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB03361 ?
Name	2-{(9as)-9a-[(1s)-1-Hydroxyethyl]-2,7-Dimethyl-9a,10-Dihydro-5h-Pyrimido[4,5-D][1,3]Thiazolo[3,2-a]Pyrimidin-8-Yl}Ethyl Trihydrogen Diphosphate
Groups	experimental
Synonyms	2-{(9as)-9a-[(1s)-1-Hydroxyethyl]-2,7-Dimethyl-9a,10-Dihydro-5h-Pyrimido[4,5-D][1,3]Thiazolo[3,2-a]Pyrimidin-8-Yl}Ethyl Trihydrogen Diphosphate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Acetolactate synthase, catabolic	MDKQYPVRQWAHGADLVVSQLEAQGVRQVFGIPGAKIDKVFDSLLDSSIR...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682