SEQ2FUN

BioLiP

PDB CCD ID: JSO
Number of entries in BioLiP: 1
Chemical formula: C7 H7 N5 O
InChI: InChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H,1H3,(H3,8,9,11,12,13)
InChIKey: UDOGNMDURIJYQC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cnc2N=C(N)NC(=O)c2n1
OpenEye OEToolkits 2.0.7Cc1cnc2c(n1)C(=O)NC(=N2)N
Name:2-azanyl-6-methyl-3~{H}-pteridin-4-one
ChEMBL: CHEMBL14913
ZINC: ZINC000000403052

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).