Ligand
Ligand Name:   2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE
Ligand Type:   non-polymer
Ligand ID:   COVPDB291 PubChem:   6857696
Synonym(s):  
  •   152175-ep2275414a1
  • 152175-ep2284166a1
  • 152175-ep2289868a1
  • q27456173
  • 2-[5-amino-2-(3-methylphenyl)-6-oxopyrimidin-1(6h)-yl]-n-[(1s)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]acetamide
show 4 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1230460
Canonical SMILES:   Cc1cccc(c1)-c1ncc(N)c(=O)n1CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Standard InChI:   InChI=1S/C22H26N8O3S/c1-13-4-2-5-14(10-13)19-28-11-15(23)21(33)30(19)12-17(31)29-16(6-3-7-27-22(24)25)18(32)20-26-8-9-34-20/h2,4-5,8-11,16H,3,6-7,12,23H2,1H3,(H,29,31)(H4,24,25,27)/t16-/m0/s1
Molecular Formula:   C22H26N8O3S Mol. Weight:   482.18484 logP:   0.88839
HBD:   5 HBA:   9
#Rotatable Bonds:   10 TPSA:   181.87

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Coagulation factor XI P03951 (FA11_HUMAN) Homo sapiens (Human) 1ZTK 62A
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