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Target
Serine protease 1
Ligand
BDBM18965
Substrate
BDBM12658
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants.
pH
7±n/a
Temperature
295.15±n/a K
Ki
248±n/a nM
Citation
 Lam, PY; Clark, CG; Li, R; Pinto, DJ; Orwat, MJ; Galemmo, RA; Fevig, JM; Teleha, CA; Alexander, RS; Smallwood, AM; Rossi, KA; Wright, MR; Bai, SA; He, K; Luettgen, JM; Wong, PC; Knabb, RM; Wexler, RR Structure-based design of novel guanidine/benzamidine mimics: potent and orally bioavailable factor Xa inhibitors as novel anticoagulants. J Med Chem 46:4405-18 (2003) [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:
BDBM18965
Synonyms:
1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide | CHEMBL134736 | pyrazole-based inhibitor, 15a
Type:
Small organic molecule
Emp. Form.:
C24H23N5O3S
Mol. Mass.:
461.536
SMILES:
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12658
Synonyms:
4-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl]-4-[(2S,3S)-3-methyl-2-(phenylformamido)pentanamido]butanoic acid hydrochloride | Bz-Ile-Glu-Gly-Arg-pNA | Chromogenic Substrate S-2222 | L-Argininamide, N-benzoyl-L-isoleucyl-L-alpha-glutamylglycyl-N-(4-nitrophenyl)-, monohydrochloride | benzoyl-Ile-Glu-Gly-Arg-p-nitroanilide
Type:
Small organic molecule
Emp. Form.:
C32H43N9O9
Mol. Mass.:
697.7387
SMILES:
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O |r|
Structure:
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