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Target
Endochitinase
Ligand
BDBM50331852
Substrate
n/a
Meas. Tech.
ChEMBL_686887 (CHEMBL1291256)
Ki
340000±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:
BDBM50331852
Synonyms:
8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE | 8-Chloro-1,3-dimethyl-3,7-dihydro-purine-2,6-dione | 8-Chloro-theophylline | CHEMBL88611
Type:
Small organic molecule
Emp. Form.:
C7H7ClN4O2
Mol. Mass.:
214.609
SMILES:
Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O
Structure:
Search PDB for entries with ligand similarity: