Structure of PDB 5aao Chain G Binding Site BS01 |
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| Ligand ID | 6FE |
| InChI | InChI=1S/C24H28N2O/c1-25(2)21-12-6-18(7-13-21)24(20-10-16-23(27-5)17-11-20)19-8-14-22(15-9-19)26(3)4/h6-17,21H,1-5H3/b24-18-/t21-/m0/s1 |
| InChIKey | FEUHGUIYUWEJCH-JHGYQWQCSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.6 | CN(C)c1ccc(cc1)C(=C2C=CC(C=C2)N(C)C)c3ccc(cc3)OC | | CACTVS 3.385 | COc1ccc(cc1)[C](=[C]2C=C[CH](C=C2)N(C)C)c3ccc(cc3)N(C)C | | CACTVS 3.385 | COc1ccc(cc1)[C](=[C@]2C=C[CH](C=C2)N(C)C)c3ccc(cc3)N(C)C |
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| Formula | C24 H28 N2 O |
| Name | 4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline;
MALACHITE GREEN DERIVATIVE MG-2P |
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| ZINC |
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| PDB chain | 5aao Chain G Residue 1169
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