BioLiP

PDB

BioLiP

PDB CCD ID:

1LR

Number of entries in BioLiP:

Chemical formula:

C14 H11 N O4

InChI:

InChI=1S/C14H11NO4/c16-12-10(14(18)19)7-4-8-11(12)15-13(17)9-5-2-1-3-6-9/h1-8,16H,(H,15,17)(H,18,19)

InChIKey:

ZIRLPQKKFAQFCV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)c2cccc(NC(=O)c1ccccc1)c2O
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C(=O)Nc2cccc(c2O)C(=O)O
CACTVS 3.370	OC(=O)c1cccc(NC(=O)c2ccccc2)c1O

Name:

3-(benzoylamino)-2-hydroxybenzoic acid

ZINC:

ZINC000001429478

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).