Structure of PDB 2ef2 Chain A Binding Site BS01 |
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| Ligand ID | RHX |
| InChI | InChI=1S/C24H19N2O2.Rh/c1-3-8-17(9-4-1)21-15-27-23(25-21)19-12-7-13-20(14-19)24-26-22(16-28-24)18-10-5-2-6-11-18;/h1-13,21-22H,15-16H2;/t21-,22-;/m1./s1 |
| InChIKey | FCXWDODCDHPSDA-HLUKFBSCSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)[C@H]2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4[C@H](CO6)c7ccccc7 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4C(CO6)c7ccccc7 | | CACTVS 3.385 | [Rh]c1c(cccc1C2=N[C@H](CO2)c3ccccc3)C4=N[C@H](CO4)c5ccccc5 | | CACTVS 3.385 | [Rh]c1c(cccc1C2=N[CH](CO2)c3ccccc3)C4=N[CH](CO4)c5ccccc5 |
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| Formula | C24 H19 N2 O2 Rh |
| Name | [2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL]RHODIUM(III);
[2,6-BIS(4-PHENYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL-KAPPAN)PHENYL-KAPPAC~1~]RHODIUM(3+) |
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| ZINC |
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| PDB chain | 2ef2 Chain A Residue 1001
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