BioLiP

PDB

BioLiP

PDB CCD ID:

463

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O

InChI:

InChI=1S/C9H12N2O/c1-7(12)11-9-4-2-3-8(5-9)6-10/h2-5H,6,10H2,1H3,(H,11,12)

InChIKey:

JLFWORHZSACMOG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1cccc(CN)c1
OpenEye OEToolkits 1.9.2	CC(=O)Nc1cccc(c1)CN
ACDLabs 12.01	O=C(Nc1cc(ccc1)CN)C

Name:

N-[3-(aminomethyl)phenyl]acetamide

ZINC:

ZINC000000153951

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).