Structure of PDB 6atr Chain A Binding Site BS03 |
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| Ligand ID | BWS |
| InChI | InChI=1S/C10H17N3O6/c1-5(9(17)12-4-8(15)16)13-7(14)3-2-6(11)10(18)19/h5-6H,2-4,11H2,1H3,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 |
| InChIKey | RPVCUZZJCXVVDW-WDSKDSINSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | NC(CCC(=O)NC(C(NCC(=O)O)=O)C)C(=O)O | | CACTVS 3.385 | C[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O | | CACTVS 3.385 | C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O | | OpenEye OEToolkits 2.0.6 | C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N | | OpenEye OEToolkits 2.0.6 | CC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N |
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| Formula | C10 H17 N3 O6 |
| Name | L-gamma-glutamyl-L-alanylglycine |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6atr Chain B Residue 301
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