Ligand |
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Ligand Name: INN-266 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB536 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: COc1ccc(C=O)c(c1)OCc2ccncc2 | ||
Standard InChI: InChI=1S/C14H13NO3/c1-17-13-3-2-12(9-16)14(8-13)18-10-11-4-6-15-7-5-11/h2-9H,10H2,1H3 | ||
Molecular Formula: C14H13NO3 | Mol. Weight: 243.08954 | logP: 2.4817 |
HBD: 0 | HBA: 4 | |
#Rotatable Bonds: 5 | TPSA: 48.42 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Hemoglobin subunit alpha | P69905 (HBA_HUMAN) | Homo sapiens (Human) | 3IC2 | B78 |
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