Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50037996
Substrate
n/a
Meas. Tech.
ChEMBL_210595 (CHEMBL816562)
Ki
6±n/a nM
Citation
 Stürzebecher, J; Prasa, D; Hauptmann, J; Vieweg, H; Wikström, P Synthesis and structure-activity relationships of potent thrombin inhibitors: piperazides of 3-amidinophenylalanine. J Med Chem 40:3091-9 (1997) [PubMed]  Article 
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin | THRB_BOVIN | Thrombin | Thrombin heavy chain | Thrombin light chain
Type:
Enzyme
Mol. Mass.:
70502.73
Organism:
Bos taurus (Bovine)
Description:
P00735
Residue:
625
Sequence:
MARVRGPRLPGCLALAALFSLVHSQHVFLAHQQASSLLQRARRANKGFLEEVRKGNLERECLEEPCSREEAFEALESLSATDAFWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGNVSVTRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRNPDGSITGPWCYTTSPTLRREECSVPVCGQDRVTVEVIPRSGGSTTSQSPLLETCVPDRGREYRGRLAVTTSGSRCLAWSSEQAKALSKDQDFNPAVPLAENFCRNPDGDEEGAWCYVADQPGDFEYCDLNYCEEPVDGDLGDRLGEDPDPDAAIEGRTSEDHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGRIVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS
  
Inhibitor
Name:
BDBM50037996
Synonyms:
1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine | CHEMBL51173 | N-[(R)-1-(4-Carbamimidoyl-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-2-(naphthalene-2-sulfonylamino)-acetamide | N-[1-(4-Carbamimidoyl-benzyl)-2-(3,4-dihydro-2H-pyridin-1-yl)-2-oxo-ethyl]-2-(naphthalene-2-sulfonylamino)-acetamide | N-[1-(4-Carbamimidoyl-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-2-(naphthalene-2-sulfonylamino)-acetamide | N-[1-(4-Carbamimidoyl-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-2-(naphthalene-2-sulfonylamino)-acetamide(NAPAP)
Type:
Small organic molecule
Emp. Form.:
C27H31N5O4S
Mol. Mass.:
521.631
SMILES:
NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: