BioLiP

PDB

BioLiP

PDB CCD ID:

PRV

Number of entries in BioLiP:

Chemical formula:

C8 H8 N2 O4

InChI:

InChI=1S/C8H8N2O4/c9-7(8(11)12)5-3-1-2-4-6(5)10(13)14/h1-4,7H,9H2,(H,11,12)/t7-/m1/s1

InChIKey:

CEBXNGWSHWJBHX-SSDOTTSWSA-N

SMILES:

Software	SMILES
CACTVS 3.352	N[CH](C(O)=O)c1ccccc1[N+]([O-])=O
CACTVS 3.352	N[C@@H](C(O)=O)c1ccccc1[N+]([O-])=O
ACDLabs 10.04	[O-][N+](=O)c1ccccc1C(N)C(=O)O
OpenEye OEToolkits 1.6.1	c1ccc(c(c1)C(C(=O)O)N)[N+](=O)[O-]
OpenEye OEToolkits 1.6.1	c1ccc(c(c1)[C@H](C(=O)O)N)[N+](=O)[O-]

Name:

(2R)-amino(2-nitrophenyl)ethanoic acid;
2-(NITRO)PHENYLGLYCINE

ZINC:

ZINC000026894896

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).