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Target
Aquaporin-1
Ligand
BDBM178091
Substrate
n/a
Meas. Tech.
Stopped-flow Assay
IC50
5.8e+3± 5e+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:
BDBM178091
Synonyms:
5-chloro-N-{[(1r,4r)-4-{[(4-aminoquinazolin-2-yl)amino]methyl}cyclohexyl]methyl}naphthalene-1-sulfonamide (Compound 3)
Type:
Small organic molecule
Emp. Form.:
C26H28ClN5O2S
Mol. Mass.:
510.051
SMILES:
Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4c(Cl)cccc34)CC2)nc2ccccc12 |r,wU:9.9,wD:6.5,(-.85,-.5,;-.85,1.04,;.48,1.81,;.48,3.35,;1.81,4.12,;3.15,3.35,;4.48,4.12,;5.82,3.35,;7.15,4.12,;7.15,5.66,;8.48,6.43,;9.82,5.66,;11.15,6.43,;9.82,7.2,;12.48,5.66,;11.15,7.97,;9.82,8.74,;9.82,10.28,;11.15,11.05,;12.48,10.28,;13.82,11.05,;13.82,12.59,;15.15,10.28,;15.15,8.74,;13.82,7.97,;12.48,8.74,;5.82,6.43,;4.48,5.66,;-.85,4.12,;-2.19,3.35,;-3.52,4.12,;-4.85,3.35,;-4.85,1.81,;-3.52,1.04,;-2.19,1.81,)|
Structure:
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