SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C16 H16 N2 O4

InChI:

InChI=1S/C16H16N2O4/c1-22-14-8-7-12(16(20)18-21)10-13(14)17-15(19)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,17,19)(H,18,20)

InChIKey:

DFZIVCDTMKHRDI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO

Name:

4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide

ChEMBL:

ZINC:

ZINC000653851521

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).