Reaction Details  Report a problem with these data
Target
Alpha-mannosidase
Ligand
BDBM50071931
Substrate
n/a
Meas. Tech.
ChEMBL_2029543 (CHEMBL4683701)
IC50
15000±n/a nM
Citation
 Luthra, T; Banothu, V; Adepally, U; Kumar, K; M, S; Chakrabarti, S; Maddi, SR; Sen, S Discovery of novel pyrido-pyrrolidine hybrid compounds as alpha-glucosidase inhibitors and alternative agent for control of type 1 diabetes. Eur J Med Chem 188:0 (2020) [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:
BDBM50071931
Synonyms:
CHEMBL3407639
Type:
Small organic molecule
Emp. Form.:
C21H14ClN3OS
Mol. Mass.:
391.873
SMILES:
Clc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
Structure:
Search PDB for entries with ligand similarity: