Ligand · OSQ
OSQ · (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide
OSQ, (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide (C22 H24 F2 N4 O2, 414.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4…
- Component
- OSQ
- Formula
- C22 H24 F2 N4 O2
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
OSQ in 4 structures; the first of them:
- 6YIK · Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand · OSQ A1201 · binds PRO1106, LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1120, ILE1122 and 12 more
- 6YIL · Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand · OSQ A1201 · binds LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1120, ILE1122, TYR1125 and 6 more
- 6YIK · Crystal structure of the crebbp bromodomain in complex with a tetrahydroquinoxaline ligand · OSQ A1201 · binds LEU1109, PRO1110, VAL1115, LEU1120, ILE1122, TYR1125, ASN1168, ARG1173 and 6 more
- 6YIL · Crystal structure of the crebbp bromodomain in complex with a tetrahydroquinoxaline ligand · OSQ A1201 · binds LEU1109, PRO1110, VAL1115, LEU1120, ILE1122, TYR1125, ASN1168, ARG1173 and 2 more
Residues it binds most
VAL 9, LEU 8, PHE 8, PRO 10, TYR 9, ILE 9, ARG 8, ASN 8, GLN 5, ASP 4 (residue and the binding sites it lines).
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