Ligand |
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Ligand Name: UAW248 | ||
Ligand Type: peptide-like | ||
Ligand ID: COVPDB1431 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: c1ccccc1OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NC3CC3 | ||
Standard InChI: InChI=1S/C30H43N5O7/c1-17(2)14-23(34-28(39)24(15-18(3)4)35-30(41)42-21-8-6-5-7-9-21)27(38)33-22(16-19-12-13-31-26(19)37)25(36)29(40)32-20-10-11-20/h5-9,17-20,22-24H,10-16H2,1-4H3,(H,31,37)(H,32,40)(H,33,38)(H,34,39)(H,35,41)/t19-,22-,23-,24-/m0/s1 | ||
Molecular Formula: C30H43N5O7 | Mol. Weight: 585.3162 | logP: 1.5793 |
HBD: 5 | HBA: 7 | |
#Rotatable Bonds: 15 | TPSA: 171.8 |
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) | 6XBI | UZ4 |
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