Structure of PDB 7ylk Chain A Binding Site BS02 |
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| Ligand ID | IRQ |
| InChI | InChI=1S/C15H13N3O2.2C11H6F2N.Ir/c19-14-6-7-15(20)18(14)10-11-4-5-13(17-9-11)12-3-1-2-8-16-12;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h1-5,8-9H,6-7,10H2;2*1-4,6-7H;/q;;;+3 |
| InChIKey | QUFXSILAYVLQGU-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | c1c(cc2c(c1F)C3=[N]([Ir+3]245(c6cc(cc(c6C7=CC=CC=[N]47)F)F)[N]8=C(C=CC=C8)C9=[N]5C=C(C=C9)CN1C(=O)CCC1=O)C=CC=C3)F | | CACTVS 3.385 | Fc1cc(F)c(c([Ir+3]c2cc(F)cc(F)c2c3ccccn3)c1)c4ccccn4.O=C5CCC(=O)N5Cc6ccc(nc6)c7ccccn7 |
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| Formula | C37 H25 F4 Ir N5 O2 |
| Name | lambda-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III) |
| ChEMBL | |
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| PDB chain | 7ylk Chain A Residue 202
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