Ki Summary

Reaction Details

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Target

Prothrombin

Ligand

BDBM50062634

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_208889 (CHEMBL814946)

2.5±n/a nM

Citation

Brady, SF; Stauffer, KJ; Lumma, WC; Smith, GM; Ramjit, HG; Lewis, SD; Lucas, BJ; Gardell, SJ; Lyle, EA; Appleby, SD; Cook, JJ; Holahan, MA; Stranieri, MT; Lynch, JJ; Lin, JH; Chen, IW; Vastag, K; Naylor-Olsen, AM; Vacca, JP Discovery and development of the novel potent orally active thrombin inhibitor N-(9-hydroxy-9-fluorenecarboxy)prolyl trans-4-aminocyclohexylmethyl amide (L-372,460): coapplication of structure-based design and rapid multiple analogue synthesis on solid support. J Med Chem41:401-6 (1998) [PubMed] 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

BDBM50062634

n/a

Name

BDBM50062634

Synonyms:

(S)-1-[3-(4-Hydroxy-phenyl)-2-phenyl-propionyl]-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide | CHEMBL434417

Type

Small organic molecule

Emp. Form.

C27H35N3O3

Mol. Mass.

449.5851

SMILES

NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C(Cc2ccc(O)cc2)c2ccccc2)CC1 |wU:9.8,(13.42,-3.24,;12.86,-4.67,;11.67,-6,;12.95,-7.56,;12.95,-9.1,;13.36,-10.6,;12.74,-11.99,;11.2,-12.16,;10.57,-13.57,;10.31,-10.92,;10.78,-9.45,;9.54,-8.54,;8.29,-9.45,;8.77,-10.92,;7.86,-12.16,;8.47,-13.57,;6.33,-11.99,;5.7,-10.6,;4.16,-10.43,;3.27,-11.68,;1.73,-11.52,;1.1,-10.11,;-.42,-9.94,;2.01,-8.87,;3.54,-9.03,;5.42,-13.25,;3.89,-13.08,;2.99,-14.33,;3.61,-15.73,;5.14,-15.89,;6.05,-14.65,;14.14,-7.77,;12.83,-6.12,)|

Structure