SEQ2FUN

BioLiP

PDB CCD ID: X6K
Number of entries in BioLiP: 5
Chemical formula: C19 H16 N4 O3
InChI: InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
InChIKey: TUVCWJQQGGETHL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cccc(O)c5
OpenEye OEToolkits 1.6.1c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5
CACTVS 3.352Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2
Name:3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL;
PI-103
ChEMBL: CHEMBL573339
DrugBank: DB17046
ZINC: ZINC000003963016
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).