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TargetThrombin
LigandBDBM50070629
Substrate/Competitorn/a
Meas. Tech.ChEMBL_210588
Ki 23000±n/a nM
Citation Cozzini PFornabaio MMarabotti AAbraham DJKellogg GEMozzarelli 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]
More Info.:Get all data from this article,  Assay Method
 
Thrombin
Name:Thrombin
Synonyms:Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | Prothrombin | Thrombin heavy chain | Thrombin light chain
Type:Enzyme
Mol. Mass.:70502.73
Organism:Bos taurus (Bovine)
Description:P00735
Residue:625
Sequence:
MARVRGPRLPGCLALAALFSLVHSQHVFLAHQQASSLLQRARRANKGFLEEVRKGNLERE
CLEEPCSREEAFEALESLSATDAFWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGN
VSVTRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRNPDGSITGPWCYTTSPTLRRE
ECSVPVCGQDRVTVEVIPRSGGSTTSQSPLLETCVPDRGREYRGRLAVTTSGSRCLAWSS
EQAKALSKDQDFNPAVPLAENFCRNPDGDEEGAWCYVADQPGDFEYCDLNYCEEPVDGDL
GDRLGEDPDPDAAIEGRTSEDHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFE
SYIEGRIVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNF
TVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDY
IHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCK
ASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRD
GKYGFYTHVFRLKKWIQKVIDRLGS
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  Blast E-value cutoff:
BDBM50070629
n/a
NameBDBM50070629
Synonyms:4-[2-(3-Benzenesulfonylamino-5-methyl-phenoxy)-ethylamino]-pyridinium | CHEMBL24097 | N-{3-Methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
TypeSmall organic molecule
Emp. Form.C20H21N3O3S
Mol. Mass.383.464
SMILESCc1cc(NS(=O)(=O)c2ccccc2)cc(OCCNc2ccncc2)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: