BioLiP

PDB

BioLiP

PDB CCD ID:

TWV

Number of entries in BioLiP:

Chemical formula:

C20 H23 N3 O2

InChI:

InChI=1S/C20H23N3O2/c1-22(2)12-11-17-14-23(19-6-4-3-5-18(17)19)13-15-7-9-16(10-8-15)20(24)21-25/h3-10,14,25H,11-13H2,1-2H3,(H,21,24)

InChIKey:

OQQDAERWKGMJMN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO
CACTVS 3.385	CN(C)CCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13
ACDLabs 12.01	c3n(Cc1ccc(cc1)C(NO)=O)c2c(cccc2)c3CCN(C)C

Name:

4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide

ChEMBL:

CHEMBL3907295

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).