BioLiP

PDB

BioLiP

PDB CCD ID:

92K

Number of entries in BioLiP:

Chemical formula:

C8 H7 N O3

InChI:

InChI=1S/C8H7NO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H,9H2,(H,11,12)

InChIKey:

MQMWPBBDMIYYMI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)C(=O)C(=O)O)N
CACTVS 3.385	Nc1ccccc1C(=O)C(O)=O

Name:

Isatinic acid

ZINC:

ZINC000002026646

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).