Structure of PDB 1y54 Chain A Binding Site BS01 |
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| Ligand ID | FDT |
| InChI | InChI=1S/C10H10N4O3S/c1-14-3-7(12-13-14)9-6(4-15)2-11-8(5-18-9)10(16)17/h2-5,9,11H,1H3,(H,16,17)/t9-/m0/s1 |
| InChIKey | BCPHJDLBOJMWOD-VIFPVBQESA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | Cn1cc(nn1)[C@@H]2C(=CNC(=CS2)C(=O)O)C=O | | CACTVS 3.341 | Cn1cc(nn1)[C@H]2SC=C(NC=C2C=O)C(O)=O | | ACDLabs 10.04 | O=C(O)C=1NC=C(C=O)C(SC=1)c2nnn(c2)C | | OpenEye OEToolkits 1.5.0 | Cn1cc(nn1)C2C(=CNC(=CS2)C(=O)O)C=O | | CACTVS 3.341 | Cn1cc(nn1)[CH]2SC=C(NC=C2C=O)C(O)=O |
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| Formula | C10 H10 N4 O3 S |
| Name | (7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID;
7-(1-METHYL-1,2,3-TRIAZOL-4-YL)-6-FORMYL-2,7-DIHYDRO-[1,4]THIAZEPINE-3-CARBOXYLIC ACID;
BRL42715;
C6-(N1-METHYL-1,2,3-TRIAZOLYLMETHYLENE)PENEM |
| ChEMBL | |
| DrugBank | DB02816 |
| ZINC | ZINC000103541321
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| PDB chain | 1y54 Chain A Residue 400
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