BioLiP

PDB

BioLiP

PDB CCD ID:

A1CVZ

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O

InChI:

InChI=1S/C10H10N2O/c1-7(13)12-6-5-8-3-2-4-9(11)10(8)12/h2-6H,11H2,1H3

InChIKey:

NEMCRSAEDZCLQC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CC(=O)n1ccc2c1c(ccc2)N
CACTVS 3.385	CC(=O)n1ccc2cccc(N)c12
ACDLabs 14.52	CC(=O)n1ccc2cccc(N)c21

Name:

1-(7-amino-1H-indol-1-yl)ethan-1-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).