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Target
Chitin synthase 1
Ligand
BDBM50559070
Substrate
n/a
Meas. Tech.
ChEMBL_2067743 (CHEMBL4722996)
IC50
22000±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:
BDBM50559070
Synonyms:
CHEMBL1182094
Type:
Small organic molecule
Emp. Form.:
C31H32NO4
Mol. Mass.:
482.5895
SMILES:
COc1ccc2c(Cc3ccc(cc3)C(C)(C)C)c3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
Structure:
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