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Target
Chitin synthase 1/2/3
Ligand
BDBM50089537
Substrate
n/a
Meas. Tech.
ChEMBL_932677 (CHEMBL3070434)
IC50
20845±n/a nM
Citation
  TBA Med Chem Res 22:1762-1772 (2013)    Article 
Target
Name:
Chitin synthase 1/2/3
Synonyms:
Chitin synthase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 932677
Components:
This complex has 3 components.
Component 1
Name:
Chitin synthase 2
Synonyms:
2.4.1.16 | CHS2 | CHS2_CANAX | Chitin synthase 2 | Chitin-UDP acetyl-glucosaminyl transferase 2
Type:
PROTEIN
Mol. Mass.:
115570.93
Organism:
Candida albicans
Description:
ChEMBL_106712
Residue:
1009
Sequence:
MSYNNPNNSNSHLRPHAYNNSRRDDSDGDESSIEFLNQRSNTPLTQGTYNYHNTSTNSLNFQQPEPIYRNQTRTSLSDSYYDHPIFDTSQTQIQPPHDNPFTESYEMTDTSYQGNDHHYRTGQPNHLMNPTYNQAFIPHVYDEEDNDEQEYDQRIQYNQFQGDHFDLAAISYADDESQSQLDYVPTERVIPEGEEEEEEGETSFEKEPGSETISGPFGEERSFEEPPPQQEVRSKKLTRATGLNGHLVLDCPVADELLSKFPDYNPAEKSGGLSREFAFMRYTAVTCGPSNFYRDAYILRPVHYPIPRQTELMIVITMYNEDDILLGRTLKGVFKNIKYLESKARSSTWGKDSWKKIVVCIVSDGRTKINERAQALLAGLGVYQEGLAKSRVDDKKVQAHMFEYTTRVGISKVTDDVVKLTTEKVVPVQMLFCLKETNAKKINSHRWCFQAIGQVLDPKIVVLLDCGTQPSGRSLYELWKEFDRDHRVAGACGEITTSLKKRQMITNPLVYGQNFEYKISNILDKPTESSFGFISVLPGAFSAYRFIALQNDINGIGPLEKYFKGEFLHSSGELDPNDDEFQMKHLMLKEEAGIFTSNMYLAEDRILCFELVAKRGCNWLLRYCKSARAETDVPEGLAEFILQRRRWLNGSFFAAIYSLVHFYKVWTSSHSFGRKIFLHIEFFYQLINLIVSWFSIGSYFLVFRILTTSLGDKALGFAPGKILSVIFLWLYLASIVTTFVLSFGNKPKGTEKFYVTIVIFFAILMAYMIFAAIFMAVHSIQDIYRSGTRITVSLFFQNSEFRDLVVATSSTYALYFLASFLYFEPWHMFTSFVQYILLSPSYVNVLNIYAFCNIDDISWGTKGEVGGKSLGEAKLREDGTFDVSVPISKEQINQSYLDQLEKIRDPAPPEEKVLVTNTEDYYAFIRSMTVLVWMFTNFVVIALVLETGGFNQFVEATDLANLKSNRAAVFLTVILWTVAFMALFRFIGCIYYLITRLGREIKASEHATK
  
Component 2
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
  
Component 3
Name:
Chitin synthase 3
Synonyms:
2.4.1.16 | CHS3 | CHS3_CANAX | Chitin synthase 3 | Chitin-UDP acetyl-glucosaminyl transferase 3 | Class-IV chitin synthase 3
Type:
PROTEIN
Mol. Mass.:
136214.76
Organism:
Candida albicans
Description:
ChEMBL_106712
Residue:
1213
Sequence:
MSNFRDSSSPRRGYSEFDPESGEGLGRKKSLIRPERSRMDESHPRFHYTQVANQESNHIKVQPSSTGVDPRKSNELSTSRSHLSNYATPPHQEEEEDEGIPLMDIHNASPNVSSDQNNDLKGGREVYGLNDEINDYGSSPKKNQVISSSRPMNNEKPAKPKHDIYFWKVYCYAITFWAPAPLLKLFGLPTKDRQFAWREKIGLISCILYVGAFVAYLTFGFTKTVCSSQVVRTQINHVNGGYLIINGRAYDLTSSQHPKAAGIQAGSNVLYPPMNAGGKDASFLFQNVNGNCKGLIKPRDNCSIPYDGDELAWYMPCRLFNQDGSTKPNNTFAYYKGWACHTSETARDAYYKLKVNGDVYFTWDDVKNSSRNLVVYSGNVLDLDLINWIETDDVTYPELFDKLRDDETYRGLDISLVLTNSEERQAARCLTEIIKVGSIDTDTIGCIASKVVLYMSLVFILSVVVVKFIMACWFKWVTSRKQGATMYDSKAWAKRNREIEDWVDHDHGIGAEVKTVPVKARANYKAAKTNRQSVFHRAQKLSLGPNADLSQYYDNPNALSKTFKYTTMSTQAALLGRNGYGKRGNNANKSVSGGFNGRQSNLYLTDQGSSTDLLNRPVSSYNPFDSMGDDSIVINGLSPDIIHPDVVPQPPVEYQPFGYPLAHTINLVTCYSEDEEGIRITLDSIATTDYPNSHKLILVICDGIIKGSGNDETTPDIVLDMMSDLTVPRDEVEAYSYVAVAQGSKRHNMAKVYAGFYKYNDETVPPEKQQRIPMITIVKCGTPEEASAPKPGNRGKRDSQIILMSFLQKVVFDERMTSLEYEMLQSIWRITGLMAEFYEIVLMVDADTKVFPDSLTHMVAEMVKDPTIMGLCGETKISNKAQTWVTAIQVFEYYISHHQAKAFESIFGGVTCLPGCFCMYRIKAPKGSDGYWVPILANPDIVERYSDNVVDTLHRKNLLLLGEDRYLSSLMLRTFPTRKQVFVPKAACKTVVPDKFKVLLSQRRRWINSTVHNLFELVLVKDLCGTFCFSMQFVIFIELIGTLVLPAAITFTIYVIIVAIVSKPTPVMSLVLLAVIFGLPGCLIVITVSSLSYLVYFVIYLFALPIWNFVLPSYAYWKFDDFSWGETRTVAGGDKGDHSAVEGKFDSSKIAMKRWREWERERRSTENRKQQQQQQLTNNSSNNLAVPGAAWDPSNTGGNLIDDLSQGSSSGSS
  
Inhibitor
Name:
BDBM50089537
Synonyms:
5-{[4-(3,3-Dimethyl-but-1-ynyl)-benzyl]-methyl-amino}-3,4-dihydro-1H-quinolin-2-one | CHEMBL443517
Type:
Small organic molecule
Emp. Form.:
C23H26N2O
Mol. Mass.:
346.4653
SMILES:
CN(Cc1ccc(cc1)C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Structure:
Search PDB for entries with ligand similarity: