Ligand name: (6~{R})-3-methyl-8-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{R},5~{R},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{S},5~{S},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-1,6,11-tris(oxidanyl)-5,6-dihydrobenzo[a]anthracene-7,12-dione
PDB ligand accession: JB0
DrugBank: n/a
PubChem:
163321810
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ChEMBL: n/a
InChI Key: YMSZNAXJMXNNPT-HUUHVTJASA-N
SMILES: Cc1cc2c(c(c1)O)C3=C(C(C2)O)C(=O)c4c(ccc(c4C3=O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC7CCC(C(O7)C)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)O)OC1CCC(C(O1)C)O)O)O
Drug action: n/a
List of PDB structures and/or AlphaFold models with target protein A0A4Z1DIH6
PDB/AF Accession |
PyMOL script |
Experimental / Predicted |
Interacting ECOD domains |
ECOD X-group name |
LigPlot |
7EQF
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Download
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Experimental
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e7eqfA2 |
Tetracyclin repressor-like, C-terminal domain
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LigPlot
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