Ligand
Ligand Name:   Z4439011584
Ligand Type:   non-polymer
Ligand ID:   COVPDB1420 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCc1cccc(C)c1NC(=O)[C@H](N(C(=O)C=C)c2cc([nH]n2)C(C)(C)C)c3cccnc3
Standard InChI:   InChI=1S/C26H31N5O2/c1-7-18-12-9-11-17(3)23(18)28-25(33)24(19-13-10-14-27-16-19)31(22(32)8-2)21-15-20(29-30-21)26(4,5)6/h8-16,24H,2,7H2,1,3-6H3,(H,28,33)(H,29,30)/t24-/m1/s1
Molecular Formula:   C26H31N5O2 Mol. Weight:   445.24777 logP:   4.87202
HBD:   2 HBA:   4
#Rotatable Bonds:   7 TPSA:   90.98

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) 5RH7 UJ1
-
-
SHOW
Replicase polyprotein 1ab P0DTD1 (R1AB_SARS2) Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) 5RH9 UJ4
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-
SHOW