Ligand
Ligand Name:   Methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropenoate
Ligand Type:   non-polymer
Ligand ID:   COVPDB23 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Cc1ccc(cc1)-c(c(c23)c(N)ncn3)c(/C=C(\C#N)C(=O)OC)n2/C=C/CO
Standard InChI:   InChI=1S/C21H19N5O3/c1-13-4-6-14(7-5-13)17-16(10-15(11-22)21(28)29-2)26(8-3-9-27)20-18(17)19(23)24-12-25-20/h3-8,10,12,27H,9H2,1-2H3,(H2,23,24,25)/b8-3+,15-10+
Molecular Formula:   C21H19N5O3 Mol. Weight:   389.1488 logP:   2.5319
HBD:   2 HBA:   8
#Rotatable Bonds:   5 TPSA:   127.05

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Ribosomal protein S6 kinase alpha-3 P51812 (KS6A3_HUMAN) Homo sapiens (Human) 4D9T 0JG
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