Ligand
Ligand Name:   Z4439011588
Ligand Type:   non-polymer
Ligand ID:   COVPDB1419 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCc1cccc(C)c1NC(=O)[C@@H](c2cccnc2)N(C(=O)C=C)c3ccc(nc3)C(C)C
Standard InChI:   InChI=1S/C27H30N4O2/c1-6-20-11-8-10-19(5)25(20)30-27(33)26(21-12-9-15-28-16-21)31(24(32)7-2)22-13-14-23(18(3)4)29-17-22/h7-18,26H,2,6H2,1,3-5H3,(H,30,33)/t26-/m1/s1
Molecular Formula:   C27H30N4O2 Mol. Weight:   442.23688 logP:   5.36982
HBD:   1 HBA:   4
#Rotatable Bonds:   8 TPSA:   75.19

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) 5RH6 UHY
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