Ligand
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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