BioLiP

PDB

BioLiP

PDB CCD ID:

7RT

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O

InChI:

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

InChIKey:

SLFIWTNAKPDBJR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNC(=O)c1cccc2c1cc[nH]2
CACTVS 3.385	CNC(=O)c1cccc2[nH]ccc12

Name:

N-methyl-1H-indole-4-carboxamide

ZINC:

ZINC000036164893

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).