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Target
Prothrombin
Ligand
BDBM14171
Substrate
BDBM12679
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
1600000±200000 nM
Citation
 Katz, BA; Mackman, R; Luong, C; Radika, K; Martelli, A; Sprengeler, PA; Wang, J; Chan, H; Wong, L Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem Biol 7:299-312 (2000) [PubMed]  Article
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Homo sapiens (Human)
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM14171
Synonyms:
APC-7538 | Thieno[2,3-b]pyridine-2-carboxamidine | [amino(thieno[2,3-b]pyridin-2-yl)methylidene]azanium
Type:
Small organic molecule
Emp. Form.:
C8H8N3S
Mol. Mass.:
178.234
SMILES:
NC(=[NH2+])c1cc2cccnc2s1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12679
Synonyms:
BDBM13790 | BDBM14298 | Chromogenic Substrate
Type:
Small organic molecule
Emp. Form.:
C26H34N6O7S
Mol. Mass.:
574.649
SMILES:
Cc1ccc(cc1)S(=O)(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: