Reaction Details Report a problem with these data
Target
Chitin synthase 3
Ligand
BDBM50089562
Substrate
n/a
Meas. Tech.
ChEMBL_932677 (CHEMBL3070434)
IC50
39719±n/a nM
Citation
  TBA Med Chem Res 22:1762-1772 (2013)    Article 
Target
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:
BDBM50089562
Synonyms:
3-Amino-5-[(6,6-dimethyl-hepta-2,4-diynyl)-methyl-amino]-3,4-dihydro-1H-quinolin-2-one | CHEMBL32780
Type:
Small organic molecule
Emp. Form.:
C19H23N3O
Mol. Mass.:
309.4054
SMILES:
CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)C(N)Cc12
Structure:
Search PDB for entries with ligand similarity: