Ligand |
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Ligand Name: (2S)-N-{3-[(3-aminopropyl)disulfanyl]propyl}-2-{2-[(2R)-2-carbamimidamido-2-cyclohexylacetamido]acetamido}propanamide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1145 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: C[C@H](NC(=O)CNC(=O)[C@H](NC(N)=N)C1CCCCC1)C(=O)NCCCSSCCCN | ||
Standard InChI: InChI=1S/C20H39N7O3S2/c1-14(18(29)24-10-6-12-32-31-11-5-9-21)26-16(28)13-25-19(30)17(27-20(22)23)15-7-3-2-4-8-15/h14-15,17H,2-13,21H2,1H3,(H,24,29)(H,25,30)(H,26,28)(H4,22,23,27)/t14-,17+/m0/s1 | ||
Molecular Formula: C20H39N7O3S2 | Mol. Weight: 489.25558 | logP: 0.27577 |
HBD: 7 | HBA: 7 | |
#Rotatable Bonds: 15 | TPSA: 175.22 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Interleukin-2 | P60568 (IL2_HUMAN) | Homo sapiens (Human) | 1M4B | NMP |
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