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Target
Endochitinase
Ligand
BDBM50331851
Substrate
n/a
Meas. Tech.
ChEMBL_686887 (CHEMBL1291256)
Ki
610±n/a nM
Citation
 Schüttelkopf, AW; Gros, L; Blair, DE; Frearson, JA; van Aalten, DM; Gilbert, IH Acetazolamide-based fungal chitinase inhibitors. Bioorg Med Chem 18:8334-40 (2010) [PubMed]  Article 
Target
Name:
Endochitinase
Synonyms:
CHIT_YEAST | CTS1 | SCW2 | Soluble cell wall protein 2
Type:
PROTEIN
Mol. Mass.:
58992.99
Organism:
Saccharomyces cerevisiae
Description:
ChEMBL_686887
Residue:
562
Sequence:
MSLLYIILLFTQFLLLPTDAFDRSANTNIAVYWGQNSAGTQESLATYCESSDADIFLLSFLNQFPTLGLNFANACSDTFSDGLLHCTQIAEDIETCQSLGKKVLLSLGGASGSYLFSDDSQAETFAQTLWDTFGEGTGASERPFDSAVVDGFDFDIENNNEVGYSALATKLRTLFAEGTKQYYLSAAPQCPYPDASVGDLLENADIDFAFIQFYNNYCSVSGQFNWDTWLTYAQTVSPNKNIKLFLGLPGSASAAGSGYISDTSLLESTIADIASSSSFGGIALWDASQAFSNELNGEPYVEILKNLLTSASQTATTTVATSKTSAASTSSASTSSASTSQKKTTQSTTSTQSKSKVTLSPTASSAIKTSITQTTKTLTSSTKTKSSLGTTTTESTLNSVAITSMKTTLSSQITSAALVTPQTTTTSIVSSAPIQTAITSTLSPATKSSSVVSLQTATTSTLSPTTTSTSSGSTSSGSTSSDSTARTLAKELNAQYAAGKLNGKSTCTEGEIACSADGKFAVCDHSAWVYMECASGTTCYAYDSGDSVYTQCNFSYLESNYF
  
Inhibitor
Name:
BDBM50331851
Synonyms:
Allosamidin | CHEMBL1230997
Type:
Small organic molecule
Emp. Form.:
C25H42N4O14
Mol. Mass.:
622.6194
SMILES:
CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@@H]2O1 |r,t:3|
Structure:
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