Ligand
Ligand Name:   UAW243
Ligand Type:   non-polymer
Ligand ID:   COVPDB1432 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1cccnc1CNC(=O)C(=O)[C@H](CCC)NC(=O)[C@H](CC(C)C)NC(=O)Oc2ccccc2
Standard InChI:   InChI=1S/C25H32N4O5/c1-4-10-20(22(30)24(32)27-16-18-11-8-9-14-26-18)28-23(31)21(15-17(2)3)29-25(33)34-19-12-6-5-7-13-19/h5-9,11-14,17,20-21H,4,10,15-16H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)/t20-,21-/m0/s1
Molecular Formula:   C25H32N4O5 Mol. Weight:   468.23727 logP:   2.7551
HBD:   3 HBA:   6
#Rotatable Bonds:   12 TPSA:   126.49

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) 6XFN V1V
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