BioLiP

PDB

BioLiP

PDB CCD ID:

F3V

Number of entries in BioLiP:

Chemical formula:

C3 H7 N O

InChI:

InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3

InChIKey:

BCDGQXUMWHRQCB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(=O)CN
ACDLabs 12.01	NCC(=O)C

Name:

1-aminopropan-2-one

ZINC:

ZINC000004658570

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).