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Target
Albumin
Ligand
BDBM50343352
Substrate
n/a
Meas. Tech.
ChEMBL_2164328 (CHEMBL5049189)
Kd
5500±n/a nM
Citation
 Rullo, M; Cipolloni, M; Catto, M; Colliva, C; Miniero, DV; Latronico, T; de Candia, M; Benicchi, T; Linusson, A; Giacchè, N; Altomare, CD; Pisani, L Probing Fluorinated Motifs onto Dual AChE-MAO B Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Early-ADME Studies. J Med Chem 65:3962-3977 (2022) [PubMed]  Article 
Target
Name:
Albumin
Synonyms:
ALB | ALBU_HUMAN | Serum albumin
Type:
PROTEIN
Mol. Mass.:
69362.94
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1509401
Residue:
609
Sequence:
MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL
  
Inhibitor
Name:
BDBM50343352
Synonyms:
2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one | 4-(4-hydroxy-2-oxo-2H-3-chromenyl)-4-phenyl-2-butanone | 4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-chromen-2-one | 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one | CHEMBL1464 | Coumadin | Jantoven | Warfarin4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-chromen-2-one | wafarin | warfarin | warfarine
Type:
Small organic molecule
Emp. Form.:
C19H16O4
Mol. Mass.:
308.3279
SMILES:
CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Structure:
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