BioLiP

PDB

BioLiP

PDB CCD ID:

R5C

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O4

InChI:

InChI=1S/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3

InChIKey:

DVDUMIQZEUTAGK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 2.0.7	CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]

Name:

(4-nitrophenyl) butanoate

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).