Ligand |
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Ligand Name: Z4439011520 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1418 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: COc1ccc(c(C)c1)NC(=O)[C@H](N(C(=O)C=C)c2cc(on2)C(C)(C)C)c3cccnc3 | ||
Standard InChI: InChI=1S/C25H28N4O4/c1-7-22(30)29(21-14-20(33-28-21)25(3,4)5)23(17-9-8-12-26-15-17)24(31)27-19-11-10-18(32-6)13-16(19)2/h7-15,23H,1H2,2-6H3,(H,27,31)/t23-/m1/s1 | ||
Molecular Formula: C25H28N4O4 | Mol. Weight: 448.21106 | logP: 4.58312 |
HBD: 1 | HBA: 6 | |
#Rotatable Bonds: 7 | TPSA: 97.56 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Replicase polyprotein 1ab | P0DTD1 (R1AB_SARS2) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) | 5RH5 | UHV |
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SHOW |