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Target
Chitin synthase 1
Ligand
BDBM50089535
Substrate
n/a
Meas. Tech.
ChEBML_49240
IC50
15±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:
BDBM50089535
Synonyms:
(R)-2-Amino-3-methyl-butyric acid 5-[(6,6-dimethyl-hepta-2,4-diynyl)-methyl-amino]-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl ester | CHEMBL34818
Type:
Small organic molecule
Emp. Form.:
C24H31N3O3
Mol. Mass.:
409.5212
SMILES:
CC(C)[C@@H](N)C(=O)OC1Cc2c(NC1=O)cccc2N(C)CC#CC#CC(C)(C)C
Structure:
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