SEQ2FUN

BioLiP

PDB CCD ID: P4L
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N3 O S
InChI: InChI=1S/C12H11N3OS/c16-12-8-7-17-6-4-9(8)14-11(15-12)10-3-1-2-5-13-10/h1-3,5H,4,6-7H2,(H,14,15,16)
InChIKey: RBVWEFJWVRUKIS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1c(O)c3c(nc1c2ncccc2)CCSC3
OpenEye OEToolkits 1.7.0c1ccnc(c1)c2nc3c(c(n2)O)CSCC3
CACTVS 3.370Oc1nc(nc2CCSCc12)c3ccccn3
Name:2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol
ChEMBL: CHEMBL1235107
ZINC: ZINC000013467796
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).