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Target
Serine protease 1
Ligand
BDBM50113851
Substrate
n/a
Meas. Tech.
ChEMBL_212197 (CHEMBL817760)
Ki
13300±n/a nM
Citation
 Cozzini, P; Fornabaio, M; Marabotti, A; Abraham, DJ; Kellogg, GE; Mozzarelli, A Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water. J Med Chem 45:2469-83 (2002) [PubMed]  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:
BDBM50113851
Synonyms:
(+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopropylamine | 2-phenylcyclopropanamine | CHEMBL313833 | TRANYLCYPROMINE | Tranylcypromine,(+) | Tranylcypromine,(-) | US8609708, 6 Tranyl- cypromine | US8609708, 6 Tranylcypromine
Type:
Small organic molecule
Emp. Form.:
C9H11N
Mol. Mass.:
133.1903
SMILES:
NC1CC1c1ccccc1
Structure:
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