Ligand |
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Ligand Name: TX64063 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB250 | PubChem: 67990327 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: N#CC(=C1)C(=O)[C@@H](C)[C@@H]([C@]12C)CCc3c2nn(C)c3-c4cccnc4 | ||
Standard InChI: InChI=1S/C20H20N4O/c1-12-16-7-6-15-17(13-5-4-8-22-11-13)24(3)23-19(15)20(16,2)9-14(10-21)18(12)25/h4-5,8-9,11-12,16H,6-7H2,1-3H3/t12-,16-,20-/m0/s1 | ||
Molecular Formula: C20H20N4O | Mol. Weight: 332.1637 | logP: 2.97098 |
HBD: 0 | HBA: 5 | |
#Rotatable Bonds: 1 | TPSA: 71.57 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Kelch-like ECH-associated protein 1 | Q14145 (KEAP1_HUMAN) | Homo sapiens (Human) | 5DAF | 58E |
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