Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM88993
Substrate
n/a
Meas. Tech.
Dose Response validation of uHTS RPN11 inhibitor hits using a Thrombin Fluorescence Polarization assay
IC50
54100±27400 nM
Citation
 PubChem, PC Dose Response validation of uHTS RPN11 inhibitor hits using a Thrombin Fluorescence Polarization assay PubChem Bioassay (2012)[AID] 
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:
BDBM88993
Synonyms:
MLS001304035 | SMR000718768 | cid_23703286 | sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-5-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | sodium;(6R,7R)-7-[[(2Z)-2-(2-aminothiazol-5-yl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | sodium;(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-5-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C13H12N5O5S2
Mol. Mass.:
382.395
SMILES:
CO\N=C(\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C([O-])=O)c1cnc(N)s1 |c:11|
Structure:
Search PDB for entries with ligand similarity: