Target
Chitotriosidase-1
Ligand
BDBM10847
Substrate
BDBM10848
Meas. Tech.
Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
303.15±n/a K
IC50
>500000±n/a nM
Citation
 Rao, FVAndersen, OAVora, KADemartino, JAvan Aalten, DM Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem Biol 12:973-80 (2005) [PubMed]  Article 
Target
Name:
Chitotriosidase-1
Synonyms:
CHIT1 | CHIT1_HUMAN | Chitinase 1 | Chitinase-1 | Chitotriosidase | Chitotriosidase-1 | Chitotriosidase-1 (CHIT1)
Type:
Enzyme
Mol. Mass.:
51682.25
Organism:
Homo sapiens (Human)
Description:
Q13231
Residue:
466
Sequence:
MVRSVAWAGFMVLLMIPWGSAAKLVCYFTNWAQYRQGEARFLPKDLDPSLCTHLIYAFAGMTNHQLSTTEWNDETLYQEFNGLKKMNPKLKTLLAIGGWNFGTQKFTDMVATANNRQTFVNSAIRFLRKYSFDGLDLDWEYPGSQGSPAVDKERFTTLVQDLANAFQQEAQTSGKERLLLSAAVPAGQTYVDAGYEVDKIAQNLDFVNLMAYDFHGSWEKVTGHNSPLYKRQEESGAAASLNVDAAVQQWLQKGTPASKLILGMPTYGRSFTLASSSDTRVGAPATGSGTPGPFTKEGGMLAYYEVCSWKGATKQRIQDQKVPYIFRDNQWVGFDDVESFKTKVSYLKQKGLGGAMVWALDLDDFAGFSCNQGRYPLIQTLRQELSLPYLPSGTPELEVPKPGQPSEPEHGPSPGQDTFCQGKADGLYPNPRERSSFYSCAAGRLFQQSCPTGLVFSNSCKCCTWN
  
Inhibitor
Name:
BDBM10847
Synonyms:
1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione | 1,3-dimethyl-7H-purine-2,6-dione | Afonilum | Aminophyllin | Aminophylline | CHEMBL190 | Cardophyllin | Euphylline | Theophy-lline | Theophylline | Theophylline (1,3-dimethylxanthine)
Type:
Small organic molecule
Emp. Form.:
C7H8N4O2
Mol. Mass.:
180.164
SMILES:
Cn1c2nc[nH]c2c(=O)n(C)c1=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10848
Synonyms:
4-methylumbelliferyl beta-D-N,N-diacetylchitobiose | 4MU-NAG2, Sigma | N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | fluorogenic substrate
Type:
Small organic molecule
Emp. Form.:
C26H34N2O13
Mol. Mass.:
582.5538
SMILES:
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](NC(C)=O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: