Ligand |
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Ligand Name: ZLLYCH2F | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB600 | PubChem: 11505008 | |
Synonym(s):
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DrugBank: DB04653 | ChEMBL: CHEMBL72006 | |
Canonical SMILES: Oc1ccc(cc1)C[C@@H](C(=O)CF)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 | ||
Standard InChI: InChI=1S/C30H40FN3O6/c1-19(2)14-25(28(37)32-24(27(36)17-31)16-21-10-12-23(35)13-11-21)33-29(38)26(15-20(3)4)34-30(39)40-18-22-8-6-5-7-9-22/h5-13,19-20,24-26,35H,14-18H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)/t24-,25-,26-/m0/s1 | ||
Molecular Formula: C30H40FN3O6 | Mol. Weight: 557.2901 | logP: 3.8301 |
HBD: 4 | HBA: 6 | |
#Rotatable Bonds: 15 | TPSA: 133.83 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Calpain-1 catalytic subunit | P07384 (CAN1_HUMAN) | Homo sapiens (Human) | 1ZCM | C1N |
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