Ligand |
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Ligand Name: APC-3316 | ||
Ligand Type: peptide-like | ||
Ligand ID: COVPDB22 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CN1CCN(CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1 | ||
Standard InChI: InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/b24-19+/t28-,30-/m1/s1 | ||
Molecular Formula: C32H38N4O4S | Mol. Weight: 574.26135 | logP: 3.6599 |
HBD: 2 | HBA: 5 | |
#Rotatable Bonds: 11 | TPSA: 98.82 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Cathepsin L2 | O60911 (CATL2_HUMAN) | Homo sapiens (Human) | 1FH0 | 0IW |
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