Ki Summary

Reaction Details

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Target

Coagulation factor XI

Ligand

BDBM339901

Substrate/Competitor

n/a

Meas. Tech.

Inhibition Assay

IC50

2350±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

BDBM339901

Name

BDBM339901

Synonyms:

US9758480, 103

Type

Small organic molecule

Emp. Form.

C30H40FN3O6

Mol. Mass.

557.6535

SMILES

CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF |r,wU:30.33,8.8,12.14,36.41,wD:33.40,2.1,(8.57,.19,;9.34,-1.14,;8.57,-2.48,;7.03,-2.48,;6.26,-3.81,;7.03,-5.14,;8.57,-5.14,;9.34,-3.81,;6.26,-6.48,;4.72,-6.48,;4.24,-7.94,;5.49,-8.85,;6.73,-7.94,;8.06,-8.71,;8.06,-10.25,;9.4,-7.94,;10.73,-8.71,;10.73,-10.25,;12.07,-11.02,;13.4,-10.25,;14.86,-10.73,;15.77,-9.48,;14.86,-8.24,;13.4,-8.71,;12.07,-7.94,;17.31,-9.48,;18.08,-10.82,;18.08,-8.15,;5.49,-10.39,;6.82,-11.16,;4.15,-11.16,;4.15,-12.7,;2.82,-13.47,;1.48,-12.7,;1.48,-11.16,;2.82,-10.39,;.15,-13.47,;-1.18,-12.7,;.15,-15.01,;-1.18,-15.78,)|

Structure

n/a