Ki Summary

Reaction Details

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Target

Prothrombin

Ligand

BDBM50289529

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_208316 (CHEMBL872724)

5±n/a nM

Citation

Sanderson, PE; Dyer, DL; Naylor-Olsen, AM; Vacca, JP; Gardell, SJ; Dale Lewis, S; Lucas, BJ; Lyle, EA; Lynch, JJ; Mulichak, AM L-373,890, An achiral, noncovalent, subnanomolar thrombin inhibitor Bioorg Med Chem Lett7:1497-1500 (1997) Article

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

BDBM50289529

n/a

Name

BDBM50289529

Synonyms:

CHEMBL3084745

Type

Small organic molecule

Emp. Form.

C22H34N4O2

Mol. Mass.

386.531

SMILES

CN[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NC[C@H]1CC[C@H](N)CC1 |r,wU:21.22,wD:24.26,2.2,(1.75,-2.49,;3.1,-3.26,;4.43,-2.49,;4.43,-.95,;3.08,-.18,;1.75,-.95,;.42,-.18,;.42,1.37,;1.75,2.15,;3.08,1.37,;5.76,-3.26,;5.76,-4.78,;7.09,-2.47,;7.26,-.95,;8.77,-.62,;9.54,-1.95,;8.5,-3.1,;8.83,-4.61,;10.3,-5.07,;7.68,-5.63,;8.01,-7.14,;9.49,-7.62,;10.6,-6.59,;12.08,-7.05,;12.41,-8.56,;13.88,-9.03,;11.26,-9.6,;9.8,-9.12,)|

Structure