Ligand
Ligand Name:   methyl 1-(prop-2-enoyl)-1,2,3,4-tetrahydroquinoline-6-carboxylate
Ligand Type:   non-polymer
Ligand ID:   COVPDB486 PubChem:   51346078
Synonym(s):  
  •   schembl19889063
DrugBank:   - ChEMBL:   -
Canonical SMILES:   COC(=O)c(c1)ccc(c12)N(CCC2)C(=O)C=C
Standard InChI:   InChI=1S/C14H15NO3/c1-3-13(16)15-8-4-5-10-9-11(14(17)18-2)6-7-12(10)15/h3,6-7,9H,1,4-5,8H2,2H3
Molecular Formula:   C14H15NO3 Mol. Weight:   245.1052 logP:   1.9384
HBD:   0 HBA:   3
#Rotatable Bonds:   2 TPSA:   46.61

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) 5OSM AEQ
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