SEQ2FUN

BioLiP

PDB CCD ID: HWB
Number of entries in BioLiP: 2
Chemical formula: C15 H11 O6
InChI: InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
InChIKey: VEVZSMAEJFVWIL-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O
CACTVS 3.385Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3
Name:cyanidin
ChEMBL: CHEMBL404515
ZINC: ZINC000003775158
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).