Structure of PDB 5tv3 Chain A Binding Site BS02 |
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| Ligand ID | 7L3 |
| InChI | InChI=1S/C13H18N4O4S3/c1-13(2,3)9-5-7-10(8-6-9)24(20,21)16-11-17(4)15-12(22-11)23(14,18)19/h5-8H,1-4H3,(H2,14,18,19)/b16-11- |
| InChIKey | NSQKDLKNBCRMRT-WJDWOHSUSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.6 | CC(C)(C)c1ccc(cc1)S(=O)(=O)N=C2N(N=C(S2)S(=O)(=O)N)C | | ACDLabs 12.01 | CC(C)(c1ccc(cc1)S(=O)(=O)\N=C2/SC(S(=O)(N)=O)=NN2C)C | | OpenEye OEToolkits 2.0.6 | CC(C)(C)c1ccc(cc1)S(=O)(=O)/N=C\2/N(N=C(S2)S(=O)(=O)N)C | | CACTVS 3.385 | CN1N=C(SC1=N[S](=O)(=O)c2ccc(cc2)C(C)(C)C)[S](N)(=O)=O |
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| Formula | C13 H18 N4 O4 S3 |
| Name | (5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide |
| ChEMBL | |
| DrugBank | |
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| PDB chain | 5tv3 Chain A Residue 302
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