Ligand
Ligand Name:   4,4-difluorocyclohexyl N-[(1S)-3-methyl-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}butyl]carbamate
Ligand Type:   non-polymer
Ligand ID:   COVPDB1269 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   FC1(F)CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O
Standard InChI:   InChI=1S/C20H31F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h11-16H,3-10H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13-,14-,16-/m0/s1
Molecular Formula:   C20H31F2N3O5 Mol. Weight:   431.22318 logP:   1.9151
HBD:   3 HBA:   5
#Rotatable Bonds:   9 TPSA:   113.6

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
2'-O-methyltransferase T2B9U0 (T2B9U0_MERS) Middle East respiratory syndrome-related coronavirus (MERS-CoV) 6VH1 QZ7
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