Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50289336
Substrate
n/a
Meas. Tech.
ChEMBL_210664 (CHEMBL812715)
Ki
>1200±n/a nM
Citation
 Dominguez, C; Carini, D; Weber, P; Knabb, R; Alexander, R; Kettner, C; Wexler, R S1 heterocyclic thrombin inhibitors Bioorg Med Chem Lett 7:79-84 (1997)    Article 
Target
Name:
Serine protease 1
Synonyms:
Alpha-trypsin chain 1 | Alpha-trypsin chain 2 | Beta-trypsin | Cationic trypsinogen | PRSS1 | Serine protease 1 | TRP1 | TRY1 | TRY1_HUMAN | TRYP1 | Thrombin & trypsin | Trypsin | Trypsin I | Trypsin-1
Type:
Enzyme
Mol. Mass.:
26557.80
Organism:
Homo sapiens (Human)
Description:
P07477
Residue:
247
Sequence:
MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVSAGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVINARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKITSNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIKNTIAANS
  
Inhibitor
Name:
BDBM50289336
Synonyms:
(S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid [(R)-4-(pyrimidin-2-ylamino)-1-((2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-butyl]-amide
Type:
Small organic molecule
Emp. Form.:
C34H47BN6O5
Mol. Mass.:
630.585
SMILES:
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCNc1ncccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:43:40:38,44:43:40:38,THB:34:35:40:38|
Structure:
Search PDB for entries with ligand similarity: