Structure of PDB 1ldq Chain B Binding Site BS01 |
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| Ligand ID | SHM |
| InChI | InChI=1S/C11H18N2O3S/c14-9(15)5-3-1-2-4-8-10-7(6-17-8)12-11(16)13-10/h7-8,10H,1-6H2,(H,14,15)(H2,12,13,16)/t7-,8-,10-/m0/s1 |
| InChIKey | CUIOUBJXOZHWNJ-NRPADANISA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | OC(=O)CCCCC[CH]1SC[CH]2NC(=O)N[CH]12 | | OpenEye OEToolkits 1.5.0 | C1[C@H]2[C@@H]([C@@H](S1)CCCCCC(=O)O)NC(=O)N2 | | ACDLabs 10.04 | O=C1NC2C(SCC2N1)CCCCCC(=O)O | | OpenEye OEToolkits 1.5.0 | C1C2C(C(S1)CCCCCC(=O)O)NC(=O)N2 | | CACTVS 3.341 | OC(=O)CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |
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| Formula | C11 H18 N2 O3 S |
| Name | HOMOBIOTIN;
6-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-HEXANOIC ACID |
| ChEMBL | |
| DrugBank | DB03112 |
| ZINC | ZINC000005851657
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| PDB chain | 1ldq Chain B Residue 2
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