SEQ2FUN

BioLiP

PDB CCD ID: HQH
Number of entries in BioLiP: 12
Chemical formula: C25 H37 N O4
InChI: InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13+,17-15+,18-9+/t19-,22+/m1/s1
InChIKey: BBLGCDSLCDDALX-LKGBESRRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC1=C(OC)C(=O)C(=C(CC=C(C)CC=CC(C)=C[CH](C)[CH](O)C(C)=CC)N1)C
CACTVS 3.385COC1=C(OC)C(=O)C(=C(C\C=C(/C)C\C=C\C(C)=C\[C@@H](C)[C@@H](O)C(/C)=C/C)N1)C
OpenEye OEToolkits 2.0.6CC=C(C)C(C(C)C=C(C)C=CCC(=CCC1=C(C(=O)C(=C(N1)OC)OC)C)C)O
OpenEye OEToolkits 2.0.6C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O
Name:Piericidin A
ChEMBL: CHEMBL272733
ZINC: ZINC000014655907
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).