SEQ2FUN

BioLiP

PDB CCD ID: MO8
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N3 S
InChI: InChI=1S/C8H11N3S/c1-5-6-4-12-3-2-7(6)11-8(9)10-5/h2-4H2,1H3,(H2,9,10,11)
InChIKey: ONZWAEXRMZGFAN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1nc(N)nc2CCSCc12
OpenEye OEToolkits 1.5.0Cc1c2c(nc(n1)N)CCSC2
ACDLabs 10.04n1c(c2c(nc1N)CCSC2)C
Name:4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
DrugBank: DB08194
ZINC: ZINC000000077255
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).