Ligand
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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