G39

(3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid

Find entries where: G39

is present as a standalone ligand in 42 entries

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Chemical Component Summary
Name	(3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Synonyms	Oseltamivir carboxylate
Identifiers	(3R,4R,5S)-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid
Formula	C₁₄ H₂₄ N₂ O₄
Molecular Weight	284.351
Type	NON-POLYMER
Isomeric SMILES	CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O
InChI	InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
InChIKey	NENPYTRHICXVCS-YNEHKIRRSA-N

Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	3
Bond Count	44
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB02600 ?
Name	Oseltamivir acid
Groups	experimental
Synonyms	Oseltamivir carboxylate Oseltamivir acid Oseltamivir free acid
Categories	Acetamides Acetates Acids, Acyclic Amides Anti-Infective Agents Antiviral Agents Cyclohexanes Cyclohexenes Cycloparaffins Enzyme Inhibitors Neuraminidase Inhibitors
CAS number	187227-45-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Neuraminidase	MNPNQKILCTSATALVIGTIAVLIGITNLGLNIGLHLKPSCNCSHSQPEA...	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