Ligand
Ligand Name:   (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-17-oxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB615 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c12cc(Cl)c(cc1)OC/C=C\CCc3c(cccc3)C(=O)N[C@@H](C2)C(=O)NC4(C#N)CC4
Standard InChI:   InChI=1S/C25H24ClN3O3/c26-20-14-17-9-10-22(20)32-13-5-1-2-6-18-7-3-4-8-19(18)23(30)28-21(15-17)24(31)29-25(16-27)11-12-25/h1,3-5,7-10,14,21H,2,6,11-13,15H2,(H,28,30)(H,29,31)/b5-1-/t21-/m0/s1
Molecular Formula:   C25H24ClN3O3 Mol. Weight:   449.1506 logP:   3.73468
HBD:   2 HBA:   4
#Rotatable Bonds:   2 TPSA:   91.22

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Procathepsin L P07711 (CATL1_HUMAN) Homo sapiens (Human) 6EZX C7Q
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