SEQ2FUN

BioLiP

PDB CCD ID: HMH
Number of entries in BioLiP: 18
Chemical formula: C6 H9 N3 O
InChI: InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)
InChIKey: VUTBELPREDJDDH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c(N)c(cnc1C)CO
OpenEye OEToolkits 1.5.0Cc1ncc(c(n1)N)CO
CACTVS 3.341Cc1ncc(CO)c(N)n1
Name:4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE
ChEMBL: CHEMBL1233354
DrugBank: DB02022
ZINC: ZINC000000895559
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).