BioLiP

PDB

BioLiP

PDB CCD ID:

17E

Number of entries in BioLiP:

Chemical formula:

C5 H7 N3 O

InChI:

InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)

InChIKey:

LRSASMSXMSNRBT-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1N=C(N)C(=CN1)C
CACTVS 3.370 OpenEye OEToolkits 1.7.6	CC1=CNC(=O)N=C1N

Name:

5-methylcytosine;
4-amino-5-methylpyrimidin-2(1H)-one

ZINC:

ZINC000000394712

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).