Structure of PDB 7o2b Chain A Binding Site BS01 |
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| Ligand ID | UZQ |
| InChI | InChI=1S/C22H24FN3O3/c1-3-4-11-24-21(28)15-9-10-19-18(13-15)25-20(27)12-14(2)26(19)22(29)16-7-5-6-8-17(16)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,28)(H,25,27)/t14-/m0/s1 |
| InChIKey | RZHHEEJRHNWMHI-AWEZNQCLSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | CCCCNC(=O)c1ccc2N([C@@H](C)CC(=O)Nc2c1)C(=O)c3ccccc3F | | OpenEye OEToolkits 2.0.7 | CCCCNC(=O)c1ccc2c(c1)NC(=O)C[C@@H](N2C(=O)c3ccccc3F)C | | OpenEye OEToolkits 2.0.7 | CCCCNC(=O)c1ccc2c(c1)NC(=O)CC(N2C(=O)c3ccccc3F)C | | CACTVS 3.385 | CCCCNC(=O)c1ccc2N([CH](C)CC(=O)Nc2c1)C(=O)c3ccccc3F |
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| Formula | C22 H24 F N3 O3 |
| Name | (2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;
(2~{S})-~{N}-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide |
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| PDB chain | 7o2b Chain A Residue 1001
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| Enzyme Commision number |
2.1.1.354: [histone H3]-lysine(4) N-trimethyltransferase. |
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