Reaction Details Report a problem with these data
Target
Acrosin
Ligand
BDBM50382099
Substrate
n/a
Meas. Tech.
ChEMBL_815401 (CHEMBL2027053)
IC50
1030000±n/a nM
Citation
 Liu, X; Chen, Q; Zhu, J; Fan, Y; Ding, L; Zhao, J; Han, G; Tian, W; Qi, J; Zhou, Y; Lv, J Synthesis and acrosin inhibitory activity of methyl 5-substituted-1H-benzo[d]imidazol-2-yl carbamate derivatives. Bioorg Med Chem Lett 22:3554-9 (2012) [PubMed]  Article 
Target
Name:
Acrosin
Synonyms:
ACR | ACRO_HUMAN | ACRS
Type:
PROTEIN
Mol. Mass.:
45865.48
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1365286
Residue:
421
Sequence:
MVEMLPTAILLVLAVSVVAKDNATCDGPCGLRFRQNPQGGVRIVGGKAAQHGAWPWMVSLQIFTYNSHRYHTCGGSLLNSRWVLTAAHCFVGKNNVHDWRLVFGAKEITYGNNKPVKAPLQERYVEKIIIHEKYNSATEGNDIALVEITPPISCGRFIGPGCLPHFKAGLPRGSQSCWVAGWGYIEEKAPRPSSILMEARVDLIDLDLCNSTQWYNGRVQPTNVCAGYPVGKIDTCQGDSGGPLMCKDSKESAYVVVGITSWGVGCARAKRPGIYTATWPYLNWIASKIGSNALRMIQSATPPPPTTRPPPIRPPFSHPISAHLPWYFQPPPRPLPPRPPAAQPRPPPSPPPPPPPPASPLPPPPPPPPPTPSSTTKLPQGLSFAKRLQQLIEVLKGKTYSDGKNHYDMETTELPELTSTS
  
Inhibitor
Name:
BDBM50382099
Synonyms:
CHEMBL2023306
Type:
Small organic molecule
Emp. Form.:
C16H16N4O4S
Mol. Mass.:
360.388
SMILES:
COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)NCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: