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Target
Aquaporin-1
Ligand
BDBM50166561
Substrate
n/a
Meas. Tech.
ChEMBL_2271917
IC50
2700±n/a nM
Citation
 Titko, T; Perekhoda, L; Drapak, I; Tsapko, Y Modern trends in diuretics development. Eur J Med Chem 208:0 (2020) [PubMed] 
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:
BDBM50166561
Synonyms:
CHEMBL195380 | Naphthalene-1-sulfonic acid {4-[(4-amino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-amide
Type:
Small organic molecule
Emp. Form.:
C26H29N5O2S
Mol. Mass.:
475.606
SMILES:
Nc1nc(NCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |(-3.12,3.75,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.9,;3.57,-.12,;4.91,-.91,;4.89,-2.45,;6.22,-3.23,;7.57,-2.46,;8.9,-3.25,;9.65,-1.9,;7.79,-4.33,;10.21,-4.05,;11.56,-3.32,;12.87,-4.12,;12.83,-5.66,;11.48,-6.4,;11.43,-7.93,;10.09,-8.67,;8.77,-7.86,;8.81,-6.31,;10.17,-5.59,;3.56,-3.21,;2.23,-2.44,;-3.1,-.9,;-4.45,-.12,;-5.78,-.9,;-7.12,-.12,;-7.12,1.42,;-5.78,2.19,;-4.45,1.42,)|
Structure:
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