SEQ2FUN

BioLiP

PDB CCD ID: DY9
Number of entries in BioLiP: 7
Chemical formula: C18 H12 O6
InChI: InChI=1S/C18H12O6/c1-18-16(23)7-5-9(20)12-10-6(3-2-4-8(10)19)14(21)13(12)11(7)15(22)17(18)24-18/h2-5,15,17,19-20,22H,1H3/t15-,17+,18-/m1/s1
InChIKey: CXDDSWUAYSPFRJ-BPQIPLTHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C]12O[CH]1[CH](O)c3c(cc(O)c4c5c(O)cccc5C(=O)c34)C2=O
OpenEye OEToolkits 2.0.7CC12C(O1)C(c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O
CACTVS 3.385C[C@]12O[C@H]1[C@H](O)c3c(cc(O)c4c5c(O)cccc5C(=O)c34)C2=O
OpenEye OEToolkits 2.0.7C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O
Name:Fluostatin C
ChEMBL: CHEMBL2164974
ZINC: ZINC000035965178
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).