Ligand
Ligand Name:   TX64063
Ligand Type:   non-polymer
Ligand ID:   COVPDB250 PubChem:   67990327
Synonym(s):  
  •   schembl9974386
  • tx-64063
  • j3.561.325k
show 2 synonym(s)
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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