RA2

1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE
Identifiers	4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid
Formula	C₁₈ H₂₆ N₂ O₅
Molecular Weight	350.409
Type	NON-POLYMER
Isomeric SMILES	CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O
InChI	InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)
InChIKey	BNIJJJRESBVRNB-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB03475 ?
Name	1-[4-Carboxy-2-(3-Pentylamino)Phenyl]-5,5'-Di(Hydroxymethyl)Pyrrolidin-2-One
Groups	experimental
Synonyms	1-[4-Carboxy-2-(3-Pentylamino)Phenyl]-5,5'-Di(Hydroxymethyl)Pyrrolidin-2-One

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Neuraminidase	MLPSTVQTLTLLLTSGGVLLSLYVSASLSYLLYSDVLLKFSSTKTTAPTM...	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