Reaction Details Report a problem with these data
Target
Lysosomal alpha-mannosidase
Ligand
BDBM50525017
Substrate
n/a
Meas. Tech.
ChEMBL_1895269 (CHEMBL4397304)
IC50
2200±n/a nM
Citation
Rísquez-Cuadro, R; Matsumoto, R; Ortega-Caballero, F; Nanba, E; Higaki, K; García Fernández, JM; Ortiz Mellet, C Pharmacological Chaperones for the Treatment of ?-Mannosidosis. J Med Chem 62:5832-5843 (2019) [PubMed] Article
More Info.:
Target
Name:
Lysosomal alpha-mannosidase
Synonyms:
LAMAN | MA2B1_HUMAN | MAN2B1 | MANB
Type:
PROTEIN
Mol. Mass.:
113753.32
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1432452
Residue:
1011
Sequence:
MGAYARASGVCARGCLDSAGPWTMSRALRPPLPPLCFFLLLLAAAGARAGGYETCPTVQPNMLNVHLLPHTHDDVGWLKTVDQYFYGIKNDIQHAGVQYILDSVISALLADPTRRFIYVEIAFFSRWWHQQTNATQEVVRDLVRQGRLEFANGGWVMNDEAATHYGAIVDQMTLGLRFLEDTFGNDGRPRVAWHIDPFGHSREQASLFAQMGFDGFFFGRLDYQDKWVRMQKLEMEQVWRASTSLKPPTADLFTGVLPNGYNPPRNLCWDVLCVDQPLVEDPRSPEYNAKELVDYFLNVATAQGRYYRTNHTVMTMGSDFQYENANMWFKNLDKLIRLVNAQQAKGSSVHVLYSTPACYLWELNKANLTWSVKHDDFFPYADGPHQFWTGYFSSRPALKRYERLSYNFLQVCNQLEALVGLAANVGPYGSGDSAPLNEAMAVLQHHDAVSGTSRQHVANDYARQLAAGWGPCEVLLSNALARLRGFKDHFTFCQQLNISICPLSQTAARFQVIVYNPLGRKVNWMVRLPVSEGVFVVKDPNGRTVPSDVVIFPSSDSQAHPPELLFSASLPALGFSTYSVAQVPRWKPQARAPQPIPRRSWSPALTIENEHIRATFDPDTGLLMEIMNMNQQLLLPVRQTFFWYNASIGDNESDQASGAYIFRPNQQKPLPVSRWAQIHLVKTPLVQEVHQNFSAWCSQVVRLYPGQRHLELEWSVGPIPVGDTWGKEVISRFDTPLETKGRFYTDSNGREILERRRDYRPTWKLNQTEPVAGNYYPVNTRIYITDGNMQLTVLTDRSQGGSSLRDGSLELMVHRRLLKDDGRGVSEPLMENGSGAWVRGRHLVLLDTAQAAAAGHRLLAEQEVLAPQVVLAPGGGAAYNLGAPPRTQFSGLRRDLPPSVHLLTLASWGPEMVLLRLEHQFAVGEDSGRNLSAPVTLNLRDLFSTFTITRLQETTLVANQLREAASRLKWTTNTGPTPHQTPYQLDPANITLEPMEIRTFLASVQWKEVDG
Inhibitor
Name:
BDBM50525017
Synonyms:
CHEMBL4462117
Type:
Small organic molecule
Emp. Form.:
C78H135N5O40
Mol. Mass.:
1782.916
SMILES:
[H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(COC[C@H]3O[C@@H]4O[C@]5([H])[C@@H](COC)O[C@H](O[C@]6([H])[C@@H](COC)O[C@H](O[C@]7([H])[C@@H](COC)O[C@H](O[C@]8([H])[C@@H](COC)O[C@]([H])(O[C@@H]9[C@@H](COC)O[C@H](O[C@]%10([H])[C@@H](COC)O[C@]([H])(O[C@H]3[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]%10OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6|