- Scientist
- Nubia Noemi Cob-Calan,1 Luz America Chi-Uluac,2 Filiberto Ortiz-Chi,3 Daniel Cerqueda-García,4 Gabriel Navarrete-Vázquez,5 Esaú Ruiz-Sánchez,1,* and Emanuel Hernández-Núñez4,*
- Protein
- Tubulin ,
- Ligand
- PubChem (Compound CID: 102287549, 100977820, 10129764)
- Simulation Duration
- not available
- InChIKey
- 102287549: RDUGMXONDQDIRN-QZBZMMCASA-N
100977820: CUOJDWBMJMRDHN-LUZUGCRASA-N
10129764: NJGWOFRZMQRKHT-VKBYPPDESA-N
- SMILES
- 102287549: CC(C)CCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CO)CC(=O)N)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N
100977820:CCCCCCCCCCCCCC(CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCN)C(=O)N[C@H]1CC2=CC=C(C=C2)OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)[C@@H](C)O)CCC(=O)O)C)CCC(=O)N)CC4=CC=C(C=C4)O)[C@@H](C)CC)O
10129764:CC(C)CCCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O
- Molecular Formula
- 102287549: C48H74N12O14
100977820:C72H110N12O20
10129764: C53H93N7O13
- Protein Details
- Highly conserved α- and β-tubulin heterodimers assemble into dynamic microtubules and perform multiple important cellular functions such as structural support, pathway for transport and force generation in cell division.
- Ligand Details
- Cyclic lipopeptides
