SEQ2FUN

BioLiP

PDB CCD ID: 1MC
Number of entries in BioLiP: 1
Chemical formula: C5 H7 N3 O
InChI: InChI=1S/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9)
InChIKey: HWPZZUQOWRWFDB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CN1C=CC(=NC1=O)N
ACDLabs 10.04O=C1N=C(N)C=CN1C
Name:1-METHYLCYTOSINE
ChEMBL: CHEMBL500883
DrugBank: DB04314
ZINC: ZINC000000966672
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).