BioLiP

PDB

BioLiP

PDB CCD ID:

PMA

Number of entries in BioLiP:

Chemical formula:

C10 H6 O8

InChI:

InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)

InChIKey:

CYIDZMCFTVVTJO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O
ACDLabs 10.04	O=C(O)c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O
OpenEye OEToolkits 1.5.0	c1c(c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O

Name:

PYROMELLITIC ACID

ChEMBL:

CHEMBL1235346

DrugBank:

DB02749

ZINC:

ZINC000000391925

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).