Ligand name: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid
PDB ligand accession: 23E
DrugBank: n/a
PubChem: 16072628
ChEMBL: CHEMBL1738707
InChI Key: HDBNVTWMHMMKNY-XMHGGMMESA-N
SMILES: c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)C=CC(=O)O)C7CCCCC7
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein Q9WMX2

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
5PZK Download Experimental e5pzkA1
e5pzkA2
e5pzkB1
e5pzkB2
Alpha-beta plaits
helical bundle domain in reverse transcriptase-like polymerases
helical bundle domain in reverse transcriptase-like polymerases
Alpha-beta plaits
LigPlot
5TRH Download Experimental e5trhA2
e5trhB2
helical bundle domain in reverse transcriptase-like polymerases
helical bundle domain in reverse transcriptase-like polymerases
LigPlot
5TRI Download Experimental e5triA1
e5triA2
e5triB1
e5triB2
helical bundle domain in reverse transcriptase-like polymerases
Alpha-beta plaits
helical bundle domain in reverse transcriptase-like polymerases
Alpha-beta plaits
LigPlot
5TRJ Download Experimental e5trjA1
e5trjA2
e5trjB1
e5trjB2
helical bundle domain in reverse transcriptase-like polymerases
Alpha-beta plaits
helical bundle domain in reverse transcriptase-like polymerases
Alpha-beta plaits
LigPlot
3QGF Download Experimental e3qgfA1
e3qgfB1
helical bundle domain in reverse transcriptase-like polymerases
helical bundle domain in reverse transcriptase-like polymerases
LigPlot
5TRK Download Experimental e5trkA1
e5trkA2
e5trkB1
e5trkB2
helical bundle domain in reverse transcriptase-like polymerases
Alpha-beta plaits
Alpha-beta plaits
helical bundle domain in reverse transcriptase-like polymerases
LigPlot
5PZO Download Experimental e5pzoA1
e5pzoA2
e5pzoB1
helical bundle domain in reverse transcriptase-like polymerases
Alpha-beta plaits
helical bundle domain in reverse transcriptase-like polymerases
LigPlot
5PZN Download Experimental e5pznA1
e5pznA2
e5pznB1
e5pznB2
Alpha-beta plaits
helical bundle domain in reverse transcriptase-like polymerases
Alpha-beta plaits
helical bundle domain in reverse transcriptase-like polymerases
LigPlot
5PZL Download Experimental e5pzlA1
e5pzlA2
e5pzlB1
e5pzlB2
Alpha-beta plaits
helical bundle domain in reverse transcriptase-like polymerases
Alpha-beta plaits
helical bundle domain in reverse transcriptase-like polymerases
LigPlot
5PZP Download Experimental e5pzpA2
e5pzpB1
helical bundle domain in reverse transcriptase-like polymerases
helical bundle domain in reverse transcriptase-like polymerases
LigPlot
3Q0Z Download Experimental e3q0zA1
e3q0zB1
helical bundle domain in reverse transcriptase-like polymerases
helical bundle domain in reverse transcriptase-like polymerases
LigPlot
5TWN Download Experimental e5twnA2
e5twnB1
helical bundle domain in reverse transcriptase-like polymerases
helical bundle domain in reverse transcriptase-like polymerases
LigPlot
3QGD Download Experimental e3qgdA1
e3qgdB4
helical bundle domain in reverse transcriptase-like polymerases
helical bundle domain in reverse transcriptase-like polymerases
LigPlot
3QGE Download Experimental e3qgeA1
e3qgeB1
helical bundle domain in reverse transcriptase-like polymerases
helical bundle domain in reverse transcriptase-like polymerases
LigPlot
3QGG Download Experimental e3qggA1
e3qggB1
helical bundle domain in reverse transcriptase-like polymerases
helical bundle domain in reverse transcriptase-like polymerases
LigPlot
5PZM Download Experimental e5pzmA1
e5pzmA2
e5pzmB1
e5pzmB2
helical bundle domain in reverse transcriptase-like polymerases
Alpha-beta plaits
Alpha-beta plaits
helical bundle domain in reverse transcriptase-like polymerases
LigPlot