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Target
Serine protease 1
Ligand
BDBM50097774
Substrate
n/a
Meas. Tech.
ChEMBL_225790 (CHEMBL844336)
Ki
14000±n/a nM
Citation
 Liebeschuetz, JW; Jones, SD; Morgan, PJ; Murray, CW; Rimmer, AD; Roscoe, JM; Waszkowycz, B; Welsh, PM; Wylie, WA; Young, SC; Martin, H; Mahler, J; Brady, L; Wilkinson, K PRO_SELECT: combining structure-based drug design and array-based chemistry for rapid lead discovery. 2. The development of a series of highly potent and selective factor Xa inhibitors. J Med Chem 45:1221-32 (2002) [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:
BDBM50097774
Synonyms:
CHEMBL20912 | N-{[(4-Aminomethyl-cyclohexylmethyl)-carbamoyl]-methyl}-3-carbamimidoyl-benzamide
Type:
Small organic molecule
Emp. Form.:
C18H27N5O2
Mol. Mass.:
345.4393
SMILES:
NCC1CCC(CNC(=O)CNC(=O)c2cccc(c2)C(N)=N)CC1 |(12.62,-.24,;11.29,.55,;9.96,-.22,;8.63,.55,;7.28,-.22,;7.29,-1.74,;5.95,-2.51,;4.62,-1.74,;3.28,-2.51,;3.28,-4.05,;1.96,-1.74,;.62,-2.5,;-.71,-1.74,;-.73,-.2,;-2.04,-2.51,;-2.04,-4.07,;-3.36,-4.84,;-4.68,-4.09,;-4.71,-2.53,;-3.37,-1.76,;-6.03,-1.78,;-7.35,-2.57,;-6.05,-.24,;8.63,-2.53,;9.96,-1.76,)|
Structure:
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