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Target
Chitin synthase 1
Ligand
BDBM50559071
Substrate
n/a
Meas. Tech.
ChEMBL_2067779 (CHEMBL4723032)
Ki
0.550000±n/a nM
Citation
 Liu, W; Yuan, L; Wang, S Recent Progress in the Discovery of Antifungal Agents Targeting the Cell Wall. J Med Chem 63:12429-12459 (2020) [PubMed]  Article 
Target
Name:
Chitin synthase 1
Synonyms:
CHS1 | CHS1_CANAX | Chitin synthase | Chitin synthase 1
Type:
PROTEIN
Mol. Mass.:
88249.31
Organism:
Candida albicans
Description:
ChEMBL_49240
Residue:
776
Sequence:
MHNINNGYVPNREKTITKRKVRLVGGKAGNLVLENPVPTELRKVLTRTESPFGEFTNMTYTACTSQPDTFSAEGFTLRAAKYGRETEIVICITMYNEDEVAFARTMHGVMKNIAHLCSRHKSKIWGKDSWKKVQVIIVADGRNKVQQSVLELLTATGCYQENLARPYVNNSKVNAHLFEYTTQISIDENLKFKGDEKNLAPVQVLFCLKESNQKKINSHRWLFNAFCPVLDPNVIVLLDVGTKPDNHAIYNLWKAFDRDSNVAGAAGEIKAMKGKGWINLTNPLVASQNFEYKLSNILDKPLESLFGYISVLPGALSAYRYIALKNHDDGTGPLASYFKGEDLLCSHDKDKENTKANFFEANMYLAEDRILCWELVSKRNDNWVLKFVKSATGETDVPETIAEFLSQRRRWINGAFFAALYSLYHFRKIWTTDHSYARKFWLHVEEFIYQLVSLLFSFFSLSNFYLTFYFLTGSLVSYKSLGKKGGFWIFTLFNYLCIGVLTSLFIVSIGNRPHASKNIFKTLIILLTICALYALVVGFVFVINTIATFGTGGTSTYVLVSIVVSLLSTYGLYTLMSILYLDPWHMLTCSVQYFLMIPSYTCTLQIFAFCNTHDVSWGTKGDNNPKEDLSNQYIIEKNASGEFEAVIVDTNIDEDYLETLYNIRSKRSNKKVALGHSEKTPLDGDDYAKDVRTRVVLFWMIANLVFIMTMVQVYEPGDTGRNIYLAFILWAVAVLALVRAIGSLGYLIQTYARFFVESKSKWMKRGYTAPSHNPLN
  
Inhibitor
Name:
BDBM50559071
Synonyms:
CHEMBL4741395
Type:
Small organic molecule
Emp. Form.:
C18H20N2O2
Mol. Mass.:
296.3636
SMILES:
CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)COc12
Structure:
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