Reaction Details Report a problem with these data
Target
Chymotrypsinogen B
Ligand
BDBM50126635
Substrate
n/a
Meas. Tech.
ChEMBL_49791 (CHEMBL663012)
Ki
>22000±n/a nM
Citation
 Tomczuk, B; Lu, T; Soll, RM; Fedde, C; Wang, A; Murphy, L; Crysler, C; Dasgupta, M; Eisennagel, S; Spurlino, J; Bone, R Oxyguanidines: application to non-peptidic phenyl-based thrombin inhibitors. Bioorg Med Chem Lett 13:1495-8 (2003) [PubMed]  Article 
Target
Name:
Chymotrypsinogen B
Synonyms:
Beta-chymotrypsin | CTRB | CTRB1 | CTRB1_HUMAN | Chymotrypsin B chain A | Chymotrypsin B chain B | Chymotrypsin B chain C | Chymotrypsinogen B | Synonyms=CTRB
Type:
PROTEIN
Mol. Mass.:
27713.98
Organism:
Homo sapiens (Human)
Description:
ChEMBL_10909
Residue:
263
Sequence:
MASLWLLSCFSLVGAAFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFCGGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNNDITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPLLSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSDTCSTSSPGVYARVTKLIPWVQKILAAN
  
Inhibitor
Name:
BDBM50126635
Synonyms:
3-[3-({[(Z)-amino(imino)methyl]amino}oxy)ethoxy]-5-methylphenyl 2-methylsulfonylbenzenesulfonate | 3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-5-methylphenyl 2-methylsulfonylbenzenesulfonate | CHEMBL37637
Type:
Small organic molecule
Emp. Form.:
C18H23N3O7S2
Mol. Mass.:
457.521
SMILES:
Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1
Structure:
Search PDB for entries with ligand similarity: