Structure of PDB 7m1v Chain A Binding Site BS01 |
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| Ligand ID | YO1 |
| InChI | InChI=1S/C24H20N10O4S4/c25-19-13-20(26)22(32-30-16-3-7-18(8-4-16)42(37,38)34-24-28-10-12-40-24)14-21(19)31-29-15-1-5-17(6-2-15)41(35,36)33-23-27-9-11-39-23/h1-14H,25-26H2,(H,27,33)(H,28,34)/b31-29+,32-30+ |
| InChIKey | BZLWMRWTRRMORD-JWTBXLROSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | c1c(ccc(c1)S(=O)(=O)Nc2sccn2)/N=N/c3c(cc(c(c3)/N=N/c4ccc(cc4)S(=O)(=O)Nc5sccn5)N)N | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1N=Nc2cc(c(cc2N)N)N=Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)S(=O)(=O)Nc5nccs5 | | CACTVS 3.385 | Nc1cc(N)c(cc1N=Nc2ccc(cc2)[S](=O)(=O)Nc3sccn3)N=Nc4ccc(cc4)[S](=O)(=O)Nc5sccn5 | | ACDLabs 12.01 | O=S(=O)(Nc1nccs1)c1ccc(/N=N/c2cc(/N=N/c3ccc(cc3)S(=O)(=O)Nc3nccs3)c(N)cc2N)cc1 |
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| Formula | C24 H20 N10 O4 S4 |
| Name | 4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide;
NSC86314;
NSC-86314 |
| ChEMBL | CHEMBL4436496 |
| DrugBank | |
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| PDB chain | 7m1v Chain A Residue 1201
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