BioLiP

PDB

BioLiP

PDB CCD ID:

INF

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O4

InChI:

InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m1/s1

InChIKey:

IOFPEOPOAMOMBE-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CC(C(=O)O)NC(=O)NO
CACTVS 3.341	ONC(=O)N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341	ONC(=O)N[C@H](Cc1ccccc1)C(O)=O
ACDLabs 10.04	O=C(O)C(NC(=O)NO)Cc1ccccc1
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C[C@H](C(=O)O)NC(=O)NO

Name:

D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE

DrugBank:

DB04316

ZINC:

ZINC000003872182

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).