Ligand
Ligand Name:   N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB428 PubChem:   135398122
Synonym(s):  
  •   mkk7-cov-3
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Cc(c1)ccc(c12)c(n[nH]2)-c3cccc(c3)NC(=O)C=C
Standard InChI:   InChI=1S/C17H15N3O/c1-3-16(21)18-13-6-4-5-12(10-13)17-14-8-7-11(2)9-15(14)19-20-17/h3-10H,1H2,2H3,(H,18,21)(H,19,20)
Molecular Formula:   C17H15N3O Mol. Weight:   277.12152 logP:   3.66282
HBD:   2 HBA:   2
#Rotatable Bonds:   3 TPSA:   57.78

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Dual specificity mitogen-activated protein kinase kinase 7 O14733 (MP2K7_HUMAN) Homo sapiens (Human) 5Z1D 95U
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