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Target
Aquaporin-1
Ligand
BDBM178094
Substrate
n/a
Meas. Tech.
Stopped-flow Assay
IC50
2.94e+4± 8e+2 nM
Citation
 Patil, RV; Xu, S; van Hoek, AN; Rusinko, A; Feng, Z; May, J; Hellberg, M; Sharif, NA; Wax, MB; Irigoyen, M; Carr, G; Brittain, T; Brown, P; Colbert, D; Kumari, S; Varadaraj, K; Mitra, AK Rapid Identification of Novel Inhibitors of the Human Aquaporin-1 Water Channel. Chem Biol Drug Des 87:794-805 (2016) [PubMed]  Article 
Target
Name:
Aquaporin-1
Synonyms:
AQP1 | AQP1_HUMAN | Aquaporin-1 (AQP1) | CHIP28
Type:
Protein
Mol. Mass.:
28528.18
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
269
Sequence:
MASEFKKKLFWRAVVAEFLATTLFVFISIGSALGFKYPVGNNQTAVQDNVKVSLAFGLSIATLAQSVGHISGAHLNPAVTLGLLLSCQISIFRALMYIIAQCVGAIVATAILSGITSSLTGNSLGRNDLADGVNSGQGLGIEIIGTLQLVLCVLATTDRRRRDLGGSAPLAIGLSVALGHLLAIDYTGCGINPARSFGSAVITHNFSNHWIFWVGPFIGGALAVLIYDFILAPRSSDLTDRVKVWTSGQVEEYDLDADDINSRVEMKPK
  
Inhibitor
Name:
BDBM178094
Synonyms:
{[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}(methyl)amine (Compound 6)
Type:
Small organic molecule
Emp. Form.:
C16H14Cl2FNO
Mol. Mass.:
326.193
SMILES:
CNCC1Cc2cc(F)cc(c2O1)-c1c(Cl)cccc1Cl |(12.06,10.63,;10.52,10.63,;9.75,9.29,;8.21,9.29,;7.31,10.54,;5.84,10.07,;4.51,10.84,;3.18,10.07,;1.84,10.84,;3.18,8.53,;4.51,7.75,;5.84,8.53,;7.31,8.05,;4.51,6.21,;3.18,5.44,;1.84,6.21,;3.18,3.9,;4.51,3.13,;5.84,3.9,;5.84,5.44,;7.18,6.21,)|
Structure:
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