Ligand
Ligand Name:   5-~{tert}-butyl-~{N}-[(2~{S})-1-[[cyano(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-pyrazole-3-carboxamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB854 PubChem:   145974244
Synonym(s):  
  •   chembl4217414
  • bdbm50451625
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4217414
Canonical SMILES:   N#CN(C)N(C)C(=O)[C@H](CC(C)C)NC(=O)c1cc(C(C)(C)C)nn1C
Standard InChI:   InChI=1S/C18H30N6O2/c1-12(2)9-13(17(26)24(8)22(6)11-19)20-16(25)14-10-15(18(3,4)5)21-23(14)7/h10,12-13H,9H2,1-8H3,(H,20,25)/t13-/m0/s1
Molecular Formula:   C18H30N6O2 Mol. Weight:   362.243 logP:   1.64838
HBD:   1 HBA:   6
#Rotatable Bonds:   6 TPSA:   94.26

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cysteine proteinase B P36400 (LMCPB_LEIME) Leishmania mexicana 6P4E GES
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