Ligand
Ligand Name:   2-hydroxy-5-methoxybenzaldehyde
Ligand Type:   non-polymer
Ligand ID:   COVPDB387 PubChem:   95695
Synonym(s):  
  •   672-13-9
  • 5-methoxysalicylaldehyde
  • m-anisaldehyde, 6-hydroxy-
  • benzaldehyde, 2-hydroxy-5-methoxy-
  • 6-hydroxy-m-anisaldehyde
  • salicylaldehyde, 5-methoxy-
  • 2-hydroxy-5-methoxy-benzaldehyde
  • 5-methoxy-2-hydroxybenzaldehyde
  • mfcd00003332
  • 2-hydroxy-5-methoxy benzaldehyde
  • 2-formyl-4-methoxyphenol
  • 2-hydroxy-5-methoxybenzaldehyde, 98%
  • einecs 211-589-0
  • nsc 30116
  • brn 1100532
  • ai3-19305
  • nsc30116
  • pubchem2649
  • 5-methoxy-salicylaldehyde
  • 4-methoxy-2-formylphenol
  • acmc-209ny0
  • wln: vhr bq eo1
  • schembl120412
  • chembl3660371
  • 2-hydroxy-5-methoxybenzal dehyde
  • 5-methoxy-2-hydroxy-benzaldehyde
  • 6-hydroxy-3-anisaldehyde
  • dtxsid40217478
  • chebi:137359
  • bdbm111039
  • sp454
  • zinc1656240
  • anw-35302
  • bbl027434
  • cl8287
  • nsc-30116
  • sbb063767
  • stl374089
  • akos000112554
  • as02847
  • cs-w001206
  • gs-6684
  • mcule-9152503324
  • 3-biphenyl-(3-methoxy)aceticacid
  • ak-87163
  • r366
  • ab0007194
  • benzaldehyde, 2-hydroxy-5-methoxy- (9ci)
  • am20040993
  • ft-0600619
  • st50824321
  • m-3166
  • 672h139
  • us8614253, .3-70
  • w-104727
  • q15634035
  • f2113-0146
  • 2-formyl-4-methoxyphenol;2-hydroxy-5-methoxy-benzaldehyd;6-hydroxy-m-anisaldehyd
show 57 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3660371
Canonical SMILES:   COc1cc(C=O)c(O)cc1
Standard InChI:   InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
Molecular Formula:   C8H8O3 Mol. Weight:   152.04735 logP:   1.2133
HBD:   1 HBA:   3
#Rotatable Bonds:   2 TPSA:   46.53

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Major histocompatibility complex class I-related gene protein Q95460 (HMR1_HUMAN) Homo sapiens (Human) 5U2V 7WQ
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