BioLiP

PDB

BioLiP

PDB CCD ID:

A1ENF

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O

InChI:

InChI=1S/C9H10N2O/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5,10H2,1H3

InChIKey:

ZGLUKQQSWABKDH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1c2ccc(cc2CC1=O)N
CACTVS 3.385	CN1C(=O)Cc2cc(N)ccc12

Name:

5-azanyl-1-methyl-3~{H}-indol-2-one

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).