Covpdb









Ligand
Ligand Name:   FIIN-3
Ligand Type:   non-polymer
Ligand ID:   COVPDB798 PubChem:   73707531
Synonym(s):  
  •   1637735-84-2
  • chembl4092990
  • n-(4-((3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)ureido)methyl)phenyl)acrylamide
  • n-[4-[[[(2,6-dichloro-3,5-dimethoxyanilino)-oxomethyl]-[6-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]amino]methyl]phenyl]-2-propenamide
  • fiin3
  • fiin 3;fiin3
  • schembl17857056
  • chebi:94612
  • hms3265o09
  • bcp28774
  • ex-a2334
  • bdbm50232830
  • akos025287402
  • zinc209735140
  • cs-5514
  • hy-18603
  • brd-k43568579-001-01-9
  • q27166436
  • 2-propenamide, n-[4-[[[[(2,6-dichloro-3,5-dimethoxyphenyl)amino]carbonyl][6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]methyl]phenyl]-
show 18 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4092990
Canonical SMILES:   COc1cc(OC)c(Cl)c(NC(=O)N(Cc2ccc(NC(=O)C=C)cc2)c2cc(Nc3ccc(cc3)N3CCN(C)CC3)ncn2)c1Cl
Standard InChI:   InChI=1S/C34H36Cl2N8O4/c1-5-30(45)40-24-8-6-22(7-9-24)20-44(34(46)41-33-31(35)26(47-3)18-27(48-4)32(33)36)29-19-28(37-21-38-29)39-23-10-12-25(13-11-23)43-16-14-42(2)15-17-43/h5-13,18-19,21H,1,14-17,20H2,2-4H3,(H,40,45)(H,41,46)(H,37,38,39)
Molecular Formula:   C34H36Cl2N8O4 Mol. Weight:   690.22363 logP:   6.6592
HBD:   3 HBA:   9
#Rotatable Bonds:   11 TPSA:   124.19

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) 4R6V FI3 IC50 : 35.3 nM PDBBind SHOW