Ligand
Ligand Name:   ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Ligand Type:   non-polymer
Ligand ID:   COVPDB1434 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](CC(C)C)NC(=O)c([nH]2)cc(c23)c(OC)ccc3
Standard InChI:   InChI=1S/C27H36N4O6/c1-5-37-24(32)10-9-18(14-17-11-12-28-25(17)33)29-26(34)21(13-16(2)3)31-27(35)22-15-19-20(30-22)7-6-8-23(19)36-4/h6-10,15-18,21,30H,5,11-14H2,1-4H3,(H,28,33)(H,29,34)(H,31,35)/b10-9+/t17-,18+,21-/m0/s1
Molecular Formula:   C27H36N4O6 Mol. Weight:   512.2635 logP:   2.4513
HBD:   4 HBA:   6
#Rotatable Bonds:   12 TPSA:   138.62

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Replicase polyprotein 1a P0C6U8 (R1A_SARS) Severe acute respiratory syndrome coronavirus (SARS-CoV) 6XHO V34
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