BioLiP

PDB

BioLiP

PDB CCD ID:

Z0I

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O

InChI:

InChI=1S/C10H10N2O/c1-7(13)12-9-4-2-3-8-5-6-11-10(8)9/h2-6,11H,1H3,(H,12,13)

InChIKey:

DCOHDTHCOCZQTO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)Nc1cccc2c1[nH]cc2
CACTVS 3.385	CC(=O)Nc1cccc2cc[nH]c12
ACDLabs 12.01	CC(=O)Nc1cccc2cc[NH]c12

Name:

N-(1H-indol-7-yl)acetamide

ZINC:

ZINC000044628667

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).