Ligand
Ligand Name:   LMC188
Ligand Type:   non-polymer
Ligand ID:   COVPDB922 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC1(C)C(=O)N(S1(=O)=O)Cc2cn(nn2)Cc3ccc(Cl)cc3
Standard InChI:   InChI=1S/C14H15ClN4O3S/c1-14(2)13(20)19(23(14,21)22)9-12-8-18(17-16-12)7-10-3-5-11(15)6-4-10/h3-6,8H,7,9H2,1-2H3
Molecular Formula:   C14H15ClN4O3S Mol. Weight:   354.05533 logP:   1.4304
HBD:   0 HBA:   6
#Rotatable Bonds:   4 TPSA:   85.16

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Chymotrypsin-like elastase family member 1 P00772 (CELA1_PIG) Sus scrofa (Pig) 6QBU HVZ
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