BioLiP

PDB

BioLiP

PDB CCD ID:

TWP

Number of entries in BioLiP:

Chemical formula:

C16 H14 N2 O2

InChI:

InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)

InChIKey:

SUWMPMSWSJBENV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1
ACDLabs 12.01	c2cc1c(cccc1)n2Cc3ccc(C(NO)=O)cc3
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)ccn2Cc3ccc(cc3)C(=O)NO

Name:

N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide

ChEMBL:

CHEMBL3958794

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).