Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM14072
Substrate
BDBM14141
Meas. Tech.
Enzyme Inhibition Assay
Ki
22±n/a nM
Citation
 Costanzo, MJ; Almond, HR; Hecker, LR; Schott, MR; Yabut, SC; Zhang, HC; Andrade-Gordon, P; Corcoran, TW; Giardino, EC; Kauffman, JA; Lewis, JM; de Garavilla, L; Haertlein, BJ; Maryanoff, BE In-depth study of tripeptide-based alpha-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1' subsite and its implications to structure-based drug design. J Med Chem 48:1984-2008 (2005) [PubMed]  Article 
Target
Name:
Serine protease 1
Synonyms:
Beta-Trypsin | Cationic trypsin | PRSS1 | TRP1 | TRY1 | TRY1_BOVIN | TRYP1 | Trypsin | Trypsin I
Type:
Enzyme
Mol. Mass.:
25790.52
Organism:
Bos taurus (bovine)
Description:
P00760
Residue:
246
Sequence:
MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
  
Inhibitor
Name:
BDBM14072
Synonyms:
2-ketobenzothiazole 12 | 2-{[(2R)-1-[(2S)-2-{[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino}acetic acid
Type:
Small organic molecule
Emp. Form.:
C29H41N7O5S
Mol. Mass.:
599.745
SMILES:
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6]-[#6](-[#8])=O)-[#6](=O)-c1nc2ccccc2s1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM14141
Synonyms:
Cbo-Gly-D-Ala-Arg-pNA.AcOH | Spectrozyme TRY | benzyl N-({[(1R)-1-{[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}ethyl]carbamoyl}methyl)carbamate; acetic acid | carbobenzoxy-glycyl-D-alanine-p-nitroanilide-acetate
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: