SEQ2FUN

BioLiP

PDB CCD ID: DRL
Number of entries in BioLiP: 5
Chemical formula: C8 H10 N2 O S
InChI: InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
InChIKey: HRYKZAKEAVZGJD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC1=NC2=C(CSCC2)C(=O)N1
ACDLabs 10.04O=C1C2=C(N=C(N1)C)CCSC2
Name:2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one
ChEMBL: CHEMBL483348
DrugBank: DB07677
ZINC: ZINC000013831221
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).