Ki Summary

Reaction Details

Report a problem with these data

Target

Prothrombin

Ligand

BDBM50110377

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_208524

53±n/a nM

Citation

Ho, JZ; Gibson, TS; Semple, JE Novel, potent non-covalent thrombin inhibitors incorporating p(3)-lactam scaffolds. Bioorg Med Chem Lett12:743-8 (2002) [PubMed]

More Info.:

Get all data from this article, Assay Method

Prothrombin

Name:

Prothrombin

Synonyms:

Type:

Protein

Mol. Mass.:

70029.57

Organism:

Homo sapiens (Human)

Description:

P00734

Residue:

622

Sequence:

MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC
VEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV
NITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE
CSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA
QAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG
DGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI
DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN
DLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP
VCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST
RIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY
GFYTHVFRLKKWIQKVIDQFGE

BDBM50110377

n/a

Name

BDBM50110377

Synonyms:

2,3-Dihydro-benzofuran-5-sulfonic acid {(S)-1-[3-(4-amino-cyclohexyl)-2-oxo-propyl]-2-oxo-azepan-3-yl}-amide | CHEMBL164180

Type

Small organic molecule

Emp. Form.

C23H33N3O5S

Mol. Mass.

463.59

SMILES

N[C@H]1CC[C@H](CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)CC1 |wU:14.14,4.4,wD:1.0,(19.96,-16.04,;18.83,-15.02,;18.83,-13.47,;17.49,-12.71,;16.16,-13.48,;14.83,-12.71,;14.83,-11.17,;15.71,-9.91,;13.29,-11.05,;12.64,-9.65,;13.62,-8.46,;13.29,-6.97,;11.91,-6.28,;10.51,-6.92,;10.16,-8.42,;8.65,-8.75,;7.21,-9.31,;7.76,-10.75,;6.67,-7.86,;5.87,-10.07,;5.85,-11.61,;4.52,-12.36,;3.19,-11.61,;1.7,-12.06,;.82,-10.79,;1.73,-9.56,;3.2,-10.05,;4.55,-9.28,;11.1,-9.63,;10.43,-11.03,;16.16,-15.02,;17.49,-15.8,)|

Structure