Ligand
Ligand Name:   TK22
Ligand Type:   non-polymer
Ligand ID:   COVPDB1201 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   COC(=O)c(c1)ccc(c12)N(C(=O)C=C)CCN2CC
Standard InChI:   InChI=1S/C15H18N2O3/c1-4-14(18)17-9-8-16(5-2)13-10-11(15(19)20-3)6-7-12(13)17/h4,6-7,10H,1,5,8-9H2,2-3H3
Molecular Formula:   C15H18N2O3 Mol. Weight:   274.13174 logP:   1.8321
HBD:   0 HBA:   4
#Rotatable Bonds:   3 TPSA:   49.85

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cyclin-dependent kinase 2 P24941 (CDK2_HUMAN) Homo sapiens (Human) 6YLK OY2
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