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Target
Albumin
Ligand
BDBM50343352
Substrate
n/a
Meas. Tech.
ChEMBL_746855 (CHEMBL1777138)
Kd
2E3±n/a nM
Citation
 Giannetti, AM; Wong, H; Dijkgraaf, GJ; Dueber, EC; Ortwine, DF; Bravo, BJ; Gould, SE; Plise, EG; Lum, BL; Malhi, V; Graham, RA Identification, characterization, and implications of species-dependent plasma protein binding for the oral Hedgehog pathway inhibitor vismodegib (GDC-0449). J Med Chem 54:2592-601 (2011) [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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