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Target
Chitin synthase 1
Ligand
BDBM50089560
Substrate
n/a
Meas. Tech.
ChEBML_49240
IC50
7.9±n/a nM
Citation
 Masubuchi, K; Taniguchi, M; Umeda, I; Hattori, K; Suda, H; Kohchi, Y; Isshiki, Y; Sakai, T; Kohchi, M; Shirai, M; Okabe, H; Sudoh, M; Yamazaki, T; Shimma, N Synthesis and structure-activity relationships of novel fungal chitin synthase inhibitors. Bioorg Med Chem Lett 10:1459-62 (2000) [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:
BDBM50089560
Synonyms:
5-(Hepta-2,4-diynyl-methyl-amino)-3,4-dihydro-1H-quinolin-2-one | CHEMBL35671
Type:
Small organic molecule
Emp. Form.:
C17H18N2O
Mol. Mass.:
266.3376
SMILES:
CCC#CC#CCN(C)c1cccc2NC(=O)CCc12
Structure:
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