Reaction Details Report a problem with these data
Target
Chymotrypsinogen B
Ligand
BDBM50152751
Substrate
n/a
Meas. Tech.
ChEMBL_302381 (CHEMBL830349)
Ki
>50000±n/a nM
Citation
More Info.:
Target
Name:
Chymotrypsinogen B
Synonyms:
A0A2R8YG87_HUMAN | Beta-chymotrypsin | CTRB1 | Chymotrypsin B chain A | Chymotrypsin B chain B | Chymotrypsin B chain C | Chymotrypsinogen B
Type:
PROTEIN
Mol. Mass.:
27871.19
Organism:
Homo sapiens (Human)
Description:
ChEMBL_216634
Residue:
263
Sequence:
MAFLWLLSCWALLGTTFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFCGGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNNDITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPLLSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSDTCSTSSPGVYARVTKLIPWVQKILAAN
Inhibitor
Name:
BDBM50152751
Synonyms:
2-((S)-2-{(S)-2-Cyclohexyl-2-[((R)-pyrazine-2-carbonyl)-amino]-acetylamino}-3,3-dimethyl-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid [1-(1-phenyl-ethylaminooxalyl)-butyl]-amide | CHEMBL184035
Type:
Small organic molecule
Emp. Form.:
C41H57N7O6
Mol. Mass.:
743.9346
SMILES:
CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1