BioLiP

PDB

BioLiP

PDB CCD ID:

55R

Number of entries in BioLiP:

Chemical formula:

C13 H10 N2 O3

InChI:

InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,15H,(H,17,18)

InChIKey:

FBVSMDPNVYJNON-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccccc1NN=C2C=CC(=O)C=C2
OpenEye OEToolkits 1.9.2	c1ccc(c(c1)C(=O)O)NN=C2C=CC(=O)C=C2
ACDLabs 12.01	O=C(O)c2c(N/N=C1/C=CC(=O)C=C1)cccc2

Name:

2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid

ZINC:

ZINC000015020565

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).