Reaction Details Report a problem with these data
Target
Fructose-1,6-bisphosphatase 1
Ligand
BDBM50273071
Substrate
n/a
Meas. Tech.
ChEMBL_513688 (CHEMBL974538)
IC50
16±n/a nM
Citation
 Hebeisen, P; Kuhn, B; Kohler, P; Gubler, M; Huber, W; Kitas, E; Schott, B; Benz, J; Joseph, C; Ruf, A Allosteric FBPase inhibitors gain 10(5) times in potency when simultaneously binding two neighboring AMP sites. Bioorg Med Chem Lett 18:4708-12 (2008) [PubMed]  Article 
Target
Name:
Fructose-1,6-bisphosphatase 1
Synonyms:
D-fructose-1,6-bisphosphate 1-phosphohydrolase 1 | F16P1_HUMAN | FBP | FBP1 | FBPase 1 | Fructose-1,6-bisphosphatase | Fructose-1,6-bisphosphatase 1 | Fructose-1,6-bisphosphatase 1 (FBPase)
Type:
Protein
Mol. Mass.:
36843.58
Organism:
Homo sapiens (Human)
Description:
Liver FBPase (P09467)
Residue:
338
Sequence:
MADQAPFDTDVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAVRKAGIAHLYGIAGSTNVTGDQVKKLDVLSNDLVMNMLKSSFATCVLVSEEDKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFGIYRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMDCGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYARDFDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVYGGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTGKEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHSAQ
  
Inhibitor
Name:
BDBM50273071
Synonyms:
3-[(3-chlorobenzene)sulfonyl]-1-({4-[({[(3-chlorobenzene)sulfonyl]carbamoyl}amino)methyl]cyclohexyl}methyl)urea | CHEMBL456155
Type:
Small organic molecule
Emp. Form.:
C22H26Cl2N4O6S2
Mol. Mass.:
577.501
SMILES:
Clc1cccc(c1)S(=O)(=O)NC(=O)NC[C@H]1CC[C@H](CNC(=O)NS(=O)(=O)c2cccc(Cl)c2)CC1 |r,wU:15.15,wD:18.19,(14.53,-7.16,;12.99,-7.19,;12.19,-5.87,;10.64,-5.9,;9.9,-7.24,;10.7,-8.56,;12.25,-8.54,;9.95,-9.91,;11.3,-10.66,;9.2,-11.25,;8.6,-9.16,;7.27,-9.95,;7.3,-11.5,;5.93,-9.21,;4.6,-10,;3.25,-9.25,;1.93,-10.03,;.59,-9.28,;.57,-7.75,;-.77,-7,;-2.09,-7.79,;-3.44,-7.03,;-3.47,-5.49,;-4.76,-7.83,;-6.11,-7.08,;-7.46,-6.34,;-5.36,-5.73,;-6.85,-8.43,;-6.07,-9.74,;-6.81,-11.09,;-8.36,-11.13,;-9.15,-9.8,;-10.69,-9.82,;-8.4,-8.45,;1.89,-6.95,;3.23,-7.71,)|
Structure:
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