Ki Summary

Reaction Details

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Target

Coagulation factor XI

Ligand

BDBM339927

Substrate/Competitor

n/a

Meas. Tech.

Inhibition Assay

IC50

10.00±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

BDBM339927

n/a

Name

BDBM339927

Synonyms:

Cyclopropylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-fluoroethyl}cyclohexyl)carbonyl]-3-(trans-4-methoxycyclohexyl)-L-prolyl]amino}-1-benzofuran-2-carboxylate | US9758480, 213

Type

Small organic molecule

Emp. Form.

C34H49FN6O5S

Mol. Mass.

672.853

SMILES

N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)N1CCCCC1)C1CCCCC1 |r,wU:7.10,16.18,1.0,15.45,wD:4.3,(-11.94,-13.96,;-10.61,-14.73,;-10.61,-16.27,;-11.94,-17.04,;-9.27,-13.96,;-7.94,-14.73,;-6.61,-13.96,;-6.61,-12.42,;-7.94,-11.65,;-9.27,-12.42,;-5.27,-11.65,;-3.94,-12.42,;-5.27,-10.11,;-6.52,-9.21,;-6.04,-7.74,;-4.5,-7.74,;-4.03,-9.21,;-2.69,-9.98,;-2.69,-11.52,;-1.36,-9.21,;-.03,-9.98,;-.03,-11.52,;1.31,-12.29,;2.64,-11.52,;4.11,-12,;5.01,-10.75,;4.11,-9.5,;2.64,-9.98,;1.31,-9.21,;6.55,-10.75,;7.32,-9.42,;7.32,-12.08,;8.86,-12.08,;10.19,-11.31,;8.86,-10.54,;9.63,-13.42,;8.86,-14.75,;9.63,-16.08,;11.17,-16.08,;11.94,-14.75,;11.17,-13.42,;-3.41,-6.66,;-1.93,-7.05,;-.84,-5.97,;-1.24,-4.48,;-2.72,-4.08,;-3.81,-5.17,)|

Structure