Ligand
Ligand Name:   GBT440
Ligand Type:   non-polymer
Ligand ID:   COVPDB270 PubChem:   71602803
Synonym(s):  
  •   voxelotor
  • 1446321-46-5
  • hemoglobin modulators-1
  • oxbryta
  • gbt-440
  • gbt 440
  • gtx-011
  • 2-hydroxy-6-((2-(1-isopropyl-1h-pyrazol-5-yl)pyridin-3-yl)methoxy)benzaldehyde
  • 2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)pyridin-3-yl]methoxy]benzaldehyde
  • unii-3zo554a4q8
  • chembl4101807
  • 3zo554a4q8
  • voxelotor (usan)
  • voxelotor [usan]
  • 2-hydroxy-6-({2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridin-3-yl}methoxy)benzaldehyde
  • 2-hydroxy-6-((2-(1-(propan-2-yl)-1h-pyrazol-5-yl)pyridin-3-yl)methoxy)benzaldehyde
  • oxbryta (tn)
  • gbt-440(voxelotor)
  • schembl15065529
  • gtpl10559
  • voxelotor(gbt440, gtx011)
  • bcp20182
  • ex-a2980
  • bdbm50235297
  • zinc145969085
  • ccg-267884
  • cs-5317
  • db14975
  • sb19656
  • compound 36 [pmid: 28337324]
  • ak547400
  • as-57911
  • da-44587
  • hy-18681
  • ft-0702904
  • s8540
  • d11330
  • gbt-440;gbt440;voxelotor;gtx-011;gtx011;gtx 011
  • 2-hydroxy-6-((2-(1-isopropyl-1h-pyrazol-5-yl)-3-pyridinyl)methoxy)benzaldehyde
  • benzaldehyde, 2-hydroxy-6-((2-(1-(1-methylethyl)-1h-pyrazol-5-yl)-3-pyridinyl)methoxy)-
show 39 synonym(s)
DrugBank:   DB14975 ChEMBL:   CHEMBL4101807
Canonical SMILES:   CC(C)n1nccc1-c2ncccc2COc3cccc(O)c3C=O
Standard InChI:   InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3
Molecular Formula:   C19H19N3O3 Mol. Weight:   337.14264 logP:   3.6231
HBD:   1 HBA:   6
#Rotatable Bonds:   6 TPSA:   77.24

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Hemoglobin subunit alpha P69905 (HBA_HUMAN) Homo sapiens (Human) 5E83 5L7
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