null
SMILES: [H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@]5([H])CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2
InChI Key:
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Replicase polyprotein 1ab (2019-nCoV) | BDBM50599323 (CHEBI:69120 | CHEMBL517080) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jnatprod.2c00521 BindingDB Entry DOI: 10.7270/Q2V69PM6 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50599323 (CHEBI:69120 | CHEMBL517080) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jnatprod.2c00521 BindingDB Entry DOI: 10.7270/Q2V69PM6 | ||||||||||||
More data for this Ligand-Target Pair |