Reaction Details Report a problem with these data
Target
Alpha-mannosidase
Ligand
BDBM50236278
Substrate
n/a
Meas. Tech.
ChEMBL_1658946 (CHEMBL4008558)
Ki
>100000±n/a nM
Citation
 García-Moreno, MI; de la Mata, M; Sánchez-Fernández, EM; Benito, JM; Díaz-Quintana, A; Fustero, S; Nanba, E; Higaki, K; Sánchez-Alcázar, JA; García Fernández, JM; Ortiz Mellet, C Fluorinated Chaperone-ß-Cyclodextrin Formulations forß-Glucocerebrosidase Activity Enhancement in Neuronopathic Gaucher Disease. J Med Chem 60:1829-1842 (2017) [PubMed]  Article 
Target
Name:
Alpha-mannosidase
Synonyms:
Alpha-mannosidase | Alpha-mannosidase, heavy subunit | Alpha-mannosidase, light subunit | JBM | Jbalpha-man | MANA_CANEN
Type:
PROTEIN
Mol. Mass.:
108565.93
Organism:
Canavalia ensiformis
Description:
ChEMBL_109557
Residue:
959
Sequence:
MKYNTGAGTVPEQLNVHLVPHSHDDVGWLKTVDQYYVGSENYIQEACVENVLDSVVMSLQRDPNRKFVFGEMAFFHRWWLEQTPETKELKLVKAGQLEFVNGGWCMHDEATTHYIDMIDHTTLGHRFLQEQFNKIPRAGWQIDPFGHSAVQGYLLGAELGFDSVHFARIDYQDREKRKGEKSLEVVWRGSKTFGSSAQIFANAFPGHYGPPNGFNFEVRNNFVPLQDDPRLFDTNVEERVQNFLDAALTQAKLTRTNHLMWTMGDDFQYQYAESWFKQMDKLLHHVNKDGRVNALYSTPSLYTEAKNAANQTWPLKIDDYFPYADGRNAYWTGFYTSRMLSGYYLATRHSGFFAGKKSTKYHAFDLADALGIAQHHDAVSGTAKQHTTNDYAKRLALGASKAEAVVSSSLACLTSKQSADQCSAPASAFSQCHLFNISYCPPTESSLPDDKSLVVVVYNPLGWSRNEIVRIPVNDANLVVKDSSGNKLEVQYVEMDDVTANLRSFYVKYWSLFKASVPPLGWSTYFISEATGKGTRNALTLSQKGETLNIGPGDLKMSFSSLTGQLKRMYNSKTGVDLPIQQNYLWYESSEGDFSDYQASGAYLFRPNGQPPPHTVSRSSVTRVTRGPLVDEVHQKFNSWISQVTRLYKDKDHAEIEFTIGPIPTDDGVGKEVITRMTSTMATNKEFYTDSNGRDFLKRVRDYREDWPLEVTQPVAGNYYPLNLGLYTKDEKSEFSVLVDRATGGASIKDGEVELMLHRRTLRDDGRGVGEPLDEQVCMNKEYTCEGLTVRGNYYLSIHKPAGGSRWRRTTGQEIYSPMLLAFTQENMENWKSSHSTKAYAMDPNYSLPPSVALITLEELDDGLVLLRLAHLYEPSEDAEYSTLTKVELKKLFATQKLEELREVSLSANQEKSEMKKMKWSVEGDNEQEPQAVRGGPVSNADFVVELGPMEIRTFLLQF
  
Inhibitor
Name:
BDBM50236278
Synonyms:
CHEMBL4077472
Type:
Small organic molecule
Emp. Form.:
C18H24F9N3O5S
Mol. Mass.:
565.451
SMILES:
[H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12|
Structure:
Search PDB for entries with ligand similarity: