Ligand name: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
PDB ligand accession: JQ1
DrugBank: n/a
PubChem: 49867179;144913635;
ChEMBL: n/a
InChI Key: DNVXATUJJDPFDM-KRWDZBQOSA-O
SMILES: Cc1c(sc-2c1C(=NC(c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Thienodiazepines
      • Subclass: None

List of proteins that are targets for JQ1

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q15059_JQ1	Q15059	n/a
2	Q58F21_JQ1	Q58F21	n/a
3	O60885_JQ1	O60885	n/a
4	Q658Y7_JQ1	Q658Y7	n/a