Ligand |
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Ligand Name: 2-azido-N-(2-{[2-(2-azidoacetamido)ethyl]disulfanyl}ethyl)acetamide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB679 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: [N-]=[N+]=NCC(=O)NCCSSCCNC(=O)CN=[N+]=[N-] | ||
Standard InChI: InChI=1S/C8H14N8O2S2/c9-15-13-5-7(17)11-1-3-19-20-4-2-12-8(18)6-14-16-10/h1-6H2,(H,11,17)(H,12,18) | ||
Molecular Formula: C8H14N8O2S2 | Mol. Weight: 318.0681 | logP: 1.2208 |
HBD: 2 | HBA: 6 | |
#Rotatable Bonds: 11 | TPSA: 155.72 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Carbonic anhydrase 2 | P00918 (CAH2_HUMAN) | Homo sapiens (Human) | 3KIG | DA9 |
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SHOW |