SEQ2FUN

BioLiP

PDB CCD ID: AJZ
Number of entries in BioLiP: 2
Chemical formula: C16 H15 N3 O2 S
InChI: InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
InChIKey: XXLAEKOWCYJOKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(cc(c1)O)c2nc3ccsc3c(n2)N4CCOCC4
CACTVS 3.352Oc1cccc(c1)c2nc3ccsc3c(n2)N4CCOCC4
Name:3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
ChEMBL: CHEMBL510164
ZINC: ZINC000027646798
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).