BioLiP

PDB

BioLiP

PDB CCD ID:

TWM

Number of entries in BioLiP:

Chemical formula:

C19 H21 N3 O2

InChI:

InChI=1S/C19H21N3O2/c1-21(2)12-16-13-22(18-6-4-3-5-17(16)18)11-14-7-9-15(10-8-14)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23)

InChIKey:

LYCCCRFBRDLGGA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C)Cc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13
ACDLabs 12.01	c2n(c1ccccc1c2CN(C)C)Cc3ccc(C(NO)=O)cc3
OpenEye OEToolkits 2.0.7	CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO

Name:

4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide

ChEMBL:

CHEMBL4066920

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).