Ligand
Ligand Name:   4-(diethylamino)benzaldehyde
Ligand Type:   non-polymer
Ligand ID:   COVPDB207 PubChem:   67114
Synonym(s):  
  •   4-diethylaminobenzaldehyde
  • 120-21-8
  • benzaldehyde, 4-(diethylamino)-
  • p-(diethylamino)benzaldehyde
  • p-formyl-n,n-diethylaniline
  • 4-(n,n-diethylamino)benzaldehyde
  • 4-(diethylamino)-benzaldehyde
  • benzaldehyde, p-(diethylamino)-
  • nsc 8782
  • unii-s640xwl10h
  • mfcd00003382
  • p-n,n-diethylaminobenzaldehyde
  • p-diethylaminobenzaldehyde
  • chebi:86194
  • s640xwl10h
  • chembl3416563
  • 4-(n,n-diethylamino)-benzaldehyde
  • 4-(diethylamino)benzaldehyde, 99%
  • st093335
  • einecs 204-377-4
  • ai3-05886
  • pubchem22031
  • p-diethylaminobenzaldhyde
  • dsstox_cid_1963
  • p-diethylamino benzaldehyde
  • p-diethylamino-benzaldehyde
  • 4-diethylamino benzaldehyde
  • acmc-209a6r
  • dsstox_gsid_21963
  • 4-(diethylamino) benzaldehyde
  • schembl195135
  • 4-n,n-diethylamino benzaldehyde
  • dtxsid0021963
  • 4-diethylaminobenzaldehyde, 99%
  • nsc8782
  • 4-(n,n-diethyl)aminobenzaldehyde
  • benzaldehyde,4-diethylamino
  • zinc157147
  • nsc-8782
  • tox21_303895
  • anw-17473
  • bbl009749
  • bdbm50076742
  • sbb040233
  • stk187548
  • akos000118909
  • cs-w017361
  • hy-w016645
  • mcule-4810264892
  • ps-6119
  • benzaldehyde, p-(diethylamino)- (8ci)
  • ncgc00357151-01
  • bp-21432
  • cas-120-21-8
  • l574
  • db-041543
  • d0463
  • ft-0618338
  • k-1427
  • a804467
  • w-108483
  • q27158973
  • f2190-0606
  • 54337-10-9
show 63 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3416563
Canonical SMILES:   CCN(CC)c1ccc(C=O)cc1
Standard InChI:   InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
Molecular Formula:   C11H15NO Mol. Weight:   177.11537 logP:   2.3453
HBD:   0 HBA:   2
#Rotatable Bonds:   4 TPSA:   20.31

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Alpha-aminoadipic semialdehyde dehydrogenase P49419 (AL7A1_HUMAN) Homo sapiens (Human) 4X0T 3W9
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