Ligand
Ligand Name:   IOX3
Ligand Type:   non-polymer
Ligand ID:   COVPDB1423 PubChem:   6914666
Synonym(s):  
  •   fg-2216
  • 223387-75-5
  • fg2216
  • n-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine
  • unii-ru921ds4z5
  • chembl426560
  • iox3;ym311
  • n-[(1-chloro-4-hydroxy-3-isoquinolinyl)carbonyl]glycine
  • ru921ds4z5
  • glycine, n-[(1-chloro-4-hydroxy-3-isoquinolinyl)carbonyl]-
  • 2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)acetic acid
  • (((1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl)amino)acetic acid
  • 1-chloro-n-(hydroxyformylmethyl-4-hydroxyisoquinoline-3-carboxamide
  • 2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
  • 1-chloro-n- (hydroxyformylmethyl-4-hydroxyisoquinoline-3-carboxamide
  • (1-chloro-4-hydroxyisoquinoline-3-carbonyl)glycine
  • un9
  • isoquinoline 3
  • 4bqx
  • 4ie6
  • schembl522744
  • zinc7670
  • 2y34
  • aob87331
  • bcp15220
  • ex-a2247
  • biq, >=98% (hplc)
  • bdbm50193145
  • mfcd23136998
  • s7979
  • ym 311
  • akos026750490
  • ccg-267248
  • cs-4210
  • db08687
  • fg-2216; ym-311
  • ak323688
  • as-17015
  • hy-15641
  • db-096638
  • b5851
  • q27097876
  • n-((1-chloro-4-hydroxyisoquinoline-3-yl)carbonyl)glycine
  • [(1-chloro-4-hydroxy-3-isoquinolinyl)carbonylamino]acetic acid
  • 2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido) acetic acid
  • 2-[(1-chloro-4-hydroxyisoquinolin-3-yl)formamido]acetic acid
  • [(1-chloro-4-hydroxy-isoquinoline-3-carbonyl)-amino]-acetic acid
show 46 synonym(s)
DrugBank:   DB08687 ChEMBL:   CHEMBL426560
Canonical SMILES:   OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Standard InChI:   InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
Molecular Formula:   C12H9ClN2O4 Mol. Weight:   280.0251 logP:   1.4082
HBD:   3 HBA:   4
#Rotatable Bonds:   3 TPSA:   99.52

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
RNA demethylase ALKBH5 Q6P6C2 (ALKB5_HUMAN) Homo sapiens (Human) 4NJ4 UN9
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