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| Ligand ID | 41M |
| InChI | InChI=1S/C16H29N5O3S/c17-10(15(18)23)5-3-4-8-19-13(22)7-2-1-6-12-14-11(9-25-12)20-16(24)21-14/h10-12,14H,1-9,17H2,(H2,18,23)(H,19,22)(H2,20,21,24)/t10-,11-,12-,14-/m0/s1 |
| InChIKey | BFTIPPVTTJTHLM-MNXVOIDGSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)N)N | | OpenEye OEToolkits 1.7.6 | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)N)NC(=O)N2 | | CACTVS 3.385 | N[CH](CCCCNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C(N)=O | | CACTVS 3.385 | N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(N)=O | | OpenEye OEToolkits 1.7.6 | C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)N)N)NC(=O)N2 |
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| Formula | C16 H29 N5 O3 S |
| Name | N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysinamide;
N-epsilon-Biotinyl-lysine-amid |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000004899883
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| PDB chain | 4s1d Chain P Residue 301
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[View ligand structure]
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