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Target
Tissue-type plasminogen activator
Ligand
BDBM14156
Substrate
BDBM12774
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants
Ki
290±n/a nM
Citation
 Katz, BA; Sprengeler, PA; Luong, C; Verner, E; Elrod, K; Kirtley, M; Janc, J; Spencer, JR; Breitenbucher, JG; Hui, H; McGee, D; Allen, D; Martelli, A; Mackman, RL Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem Biol 8:1107-21 (2001) [PubMed]  Article 
Target
Name:
Tissue-type plasminogen activator
Synonyms:
Alteplase | PLAT | Reteplase | TPA_HUMAN | Thrombin receptor protein | Tissue-type plasminogen activator | Tissue-type plasminogen activator (tPA) | Tissue-type plasminogen activator precursor | t-PA | t-Plasminogen Activator (tPA) | t-plasminogen activator
Type:
Enzyme
Mol. Mass.:
62931.08
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
562
Sequence:
MDAMKRGLCCVLLLCGAVFVSPSQEIHARFRRGARSYQVICRDEKTQMIYQQHQSWLRPVLRSNRVEYCWCNSGRAQCHSVPVKSCSEPRCFNGGTCQQALYFSDFVCQCPEGFAGKCCEIDTRATCYEDQGISYRGTWSTAESGAECTNWNSSALAQKPYSGRRPDAIRLGLGNHNYCRNPDRDSKPWCYVFKAGKYSSEFCSTPACSEGNSDCYFGNGSAYRGTHSLTESGASCLPWNSMILIGKVYTAQNPSAQALGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVPSCSTCGLRQYSQPQFRIKGGLFADIASHPWQAAIFAKHRRSPGERFLCGGILISSCWILSAAHCFQERFPPHHLTVILGRTYRVVPGEEEQKFEVEKYIVHKEFDDDTYDNDIALLQLKSDSSRCAQESSVVRTVCLPPADLQLPDWTECELSGYGKHEALSPFYSERLKEAHVRLYPSSRCTSQHLLNRTVTDNMLCAGDTRSGGPQANLHDACQGDSGGPLVCLNDGRMTLVGIISWGLGCGQKDVPGVYTKVTNYLDWIRDNMRP
  
Inhibitor
Name:
BDBM14156
Synonyms:
3-bromo-N-(4-carbamimidoylphenyl)-2-hydroxy-5-methylbenzamide | APC-10484 | CHEMBL61327
Type:
Small organic molecule
Emp. Form.:
C15H14BrN3O2
Mol. Mass.:
348.195
SMILES:
Cc1cc(Br)c(O)c(c1)C(=O)Nc1ccc(cc1)C(N)=N
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12774
Synonyms:
(2S)-5-carbamimidamido-2-{2-[(2R)-3-(4-hydroxycyclohexyl)-2-methanesulfonamidopropanamido]acetamido}-N-(4-nitrophenyl)pentanamide; acetic acid | CH3-SO2-D-HHT-Gly-Arg-pNA | Factor IX Chromogenic Substrate | MS-D-HHT-Gly-Arg-pNA | Methylsulfonyl-D-hexahydrotyrosyl-glycyl-arginine-4-nitroanilide | N-Methylsulfonyl-D-hexahydrotyrosyl-glycyl-L-arginine-4-nitroanilide acetate | Spectrozyme tPA | tPA/Trypsin Substrate
Type:
Small organic molecule
Emp. Form.:
C24H38N8O8S
Mol. Mass.:
598.672
SMILES:
CS(=O)(=O)NC(CC1CCC(O)CC1)C(=O)NCC(=O)NC(CCC\[NH+]=C(\N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O |(-14.85,4.9,;-14.08,3.57,;-12.75,4.34,;-15.42,2.8,;-13.31,2.23,;-11.77,2.23,;-11,.9,;-11.77,-.43,;-13.31,-.43,;-14.08,-1.77,;-13.31,-3.1,;-14.08,-4.44,;-11.77,-3.1,;-11,-1.77,;-11,3.57,;-11.77,4.9,;-9.46,3.57,;-8.69,2.23,;-7.15,2.23,;-6.38,3.57,;-6.38,.9,;-4.84,.9,;-4.07,-.43,;-4.84,-1.77,;-4.07,-3.1,;-4.84,-4.44,;-4.07,-5.77,;-4.84,-7.1,;-2.53,-5.77,;-4.07,2.23,;-4.84,3.57,;-2.53,2.23,;-1.76,3.57,;-2.53,4.9,;-1.76,6.23,;-.22,6.23,;.55,4.9,;-.22,3.57,;.55,7.57,;-.22,8.9,;2.09,7.57,)|
Structure:
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