Ligand
Ligand Name:   N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB514 PubChem:   145945978
Synonym(s):  
  •   chembl4541330
  • bdbm50504102
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4541330
Canonical SMILES:   Cc(c1)ccc(c12)oc(c2C)-c(c(c34)c(N)n[nH]c4=O)n(n3)-c5ccc(cc5)CNC(=O)C=C
Standard InChI:   InChI=1S/C25H22N6O3/c1-4-19(32)27-12-15-6-8-16(9-7-15)31-22(20-21(30-31)25(33)29-28-24(20)26)23-14(3)17-11-13(2)5-10-18(17)34-23/h4-11H,1,12H2,2-3H3,(H2,26,28)(H,27,32)(H,29,33)
Molecular Formula:   C25H22N6O3 Mol. Weight:   454.17532 logP:   3.52324
HBD:   3 HBA:   7
#Rotatable Bonds:   5 TPSA:   131.83

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Fibroblast growth factor receptor 4 P22455 (FGFR4_HUMAN) Homo sapiens (Human) 6IUO AWX
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