Reaction Details Report a problem with these data
Target
Alpha-mannosidase
Ligand
BDBM50579647
Substrate
n/a
Meas. Tech.
ChEMBL_2144990 (CHEMBL5029270)
Ki
17±n/a nM
Citation
 Li, RF; Yang, JX; Liu, J; Ai, GM; Zhang, HY; Xu, LY; Chen, SB; Zhang, HX; Li, XL; Cao, ZR; Wang, KR Positional Isomeric Effects on the Optical Properties, Multivalent Glycosidase Inhibition Effect, and Hypoglycemic Effect of Perylene Bisimide-deoxynojirimycin Conjugates. J Med Chem 64:5863-5873 (2021) [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:
BDBM50579647
Synonyms:
CHEMBL5090920
Type:
Small organic molecule
Emp. Form.:
C84H96Cl2N18O24
Mol. Mass.:
1812.673
SMILES:
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCn1cc(COc2ccc(Oc3cc4c5c(cc(Cl)c6c7c(Cl)cc8c9c(cc(Oc%10ccc(OCc%11cn(CCCN%12C[C@H](O)[C@@H](O)[C@H](O)[C@H]%12CO)nn%11)cc%10)c(c3c56)c79)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c8=O)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c4=O)cc2)nn1 |r|
Structure:
Search PDB for entries with ligand similarity: