BioLiP

PDB

BioLiP

PDB CCD ID:

PPN

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O4

InChI:

InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1

InChIKey:

GTVVZTAFGPQSPC-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-]
CACTVS 3.341	N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0	c1cc(ccc1CC(C(=O)O)N)[N+](=O)[O-]
CACTVS 3.341	N[CH](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O
ACDLabs 10.04	[O-][N+](=O)c1ccc(cc1)CC(N)C(=O)O

Name:

PARA-NITROPHENYLALANINE

ZINC:

ZINC000000043864

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).