BioLiP

PDB

BioLiP

PDB CCD ID:

6R3

Number of entries in BioLiP:

Chemical formula:

C5 H7 N O

InChI:

InChI=1S/C5H7NO/c1-3-5(7)4(2)6/h3H,1-2,6H2

InChIKey:

AHTXUWSCLWCTPN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	C=CC(=O)C(=C)N
CACTVS 3.385	NC(=C)C(=O)C=C

Name:

2-azanylpenta-1,4-dien-3-one

ZINC:

ZINC000584904876

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).