Ki Summary

Reaction Details

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Target

Coagulation factor XI

Ligand

BDBM339895

Substrate/Competitor

n/a

Meas. Tech.

Inhibition Assay

IC50

84.0±n/a nM

Citation

Ikuma, Y; Fukuda, N; Iwata, M; Kimura, H; Suzuki, K 1-(cycloalkyl-carbonyl)proline derivative US Patent US9758480 Publication Date 9/12/2017

More Info.:

Get all data from this article, Assay Method

Coagulation factor XI

Name:

Coagulation factor XI

Synonyms:

Type:

Enzyme

Mol. Mass.:

70130.58

Organism:

Homo sapiens (Human)

Description:

P03951

Residue:

625

Sequence:

MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFT
FTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDM
KGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITK
LDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFT
FFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTD
FLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKIL
HGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSI
IGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYD
IALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLV
TNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCA
QRERPGVYTNVVEYVDWILEKTQAV

BDBM339895

n/a

Name

BDBM339895

Synonyms:

US9758480, 50

Type

Small organic molecule

Emp. Form.

C29H38FN3O5

Mol. Mass.

527.6275

SMILES

NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C1CCCCC1 |r,wU:7.10,16.18,wD:15.35,4.3,(-9.53,-11.25,;-8.19,-12.02,;-8.19,-13.56,;-9.53,-14.33,;-6.86,-11.25,;-5.53,-12.02,;-4.19,-11.25,;-4.19,-9.71,;-5.53,-8.94,;-6.86,-9.71,;-2.86,-8.94,;-1.53,-9.71,;-2.86,-7.4,;-4.11,-6.49,;-3.63,-5.03,;-2.09,-5.03,;-1.61,-6.49,;-.28,-7.26,;-.28,-8.8,;1.05,-6.49,;2.39,-7.26,;2.39,-8.8,;3.72,-9.57,;5.05,-8.8,;6.52,-9.28,;7.42,-8.03,;6.52,-6.79,;5.05,-7.26,;3.72,-6.49,;8.96,-8.03,;9.73,-6.7,;9.73,-9.37,;-1.32,-3.7,;.22,-3.7,;.99,-2.36,;.22,-1.03,;-1.32,-1.03,;-2.09,-2.36,)|

Structure