Ligand |
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Ligand Name: PCM-0102372 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1351 | PubChem: 2002581 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: O=S1(=O)C[C@H](C=C1)N(C(=O)CCl)c2ccccc2 | ||
Standard InChI: InChI=1S/C12H12ClNO3S/c13-8-12(15)14(10-4-2-1-3-5-10)11-6-7-18(16,17)9-11/h1-7,11H,8-9H2/t11-/m0/s1 | ||
Molecular Formula: C12H12ClNO3S | Mol. Weight: 285.02264 | logP: 1.5691 |
HBD: 0 | HBA: 3 | |
#Rotatable Bonds: 3 | TPSA: 54.45 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Replicase polyprotein 1ab | P0DTD1 (R1AB_SARS2) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) | 5RFG | T6V |
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SHOW |