Ki Summary

Reaction Details

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Target

Coagulation factor VII

Ligand

BDBM50032859

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1443464 (CHEMBL3377178)

>10900±n/a nM

Citation

Hangeland, JJ; Friends, TJ; Rossi, KA; Smallheer, JM; Wang, C; Sun, Z; Corte, JR; Fang, T; Wong, PC; Rendina, AR; Barbera, FA; Bozarth, JM; Luettgen, JM; Watson, CA; Zhang, G; Wei, A; Ramamurthy, V; Morin, PE; Bisacchi, GS; Subramaniam, S; Arunachalam, P; Mathur, A; Seiffert, DA; Wexler, RR; Quan, ML Phenylimidazoles as potent and selective inhibitors of coagulation factor XIa with in vivo antithrombotic activity. J Med Chem57:9915-32 (2014) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Coagulation factor VII

Name:

Coagulation factor VII

Synonyms:

Type:

Enzyme

Mol. Mass.:

51599.89

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

466

Sequence:

MVSQALRLLCLLLGLQGCLAAGGVAKASGGETRDMPWKPGPHRVFVTQEEAHGVLHRRRR
ANAFLEELRPGSLERECKEEQCSFEEAREIFKDAERTKLFWISYSDGDQCASSPCQNGGS
CKDQLQSYICFCLPAFEGRNCETHKDDQLICVNENGGCEQYCSDHTGTKRSCRCHEGYSL
LADGVSCTPTVEYPCGKIPILEKRNASKPQGRIVGGKVCPKGECPWQVLLLVNGAQLCGG
TLINTIWVVSAAHCFDKIKNWRNLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTN
HDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVL
NVPRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTG
IVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP

BDBM50032859

n/a

Name

BDBM50032859

Synonyms:

CHEMBL3352850

Type

Small organic molecule

Emp. Form.

C27H32F3N5O5S

Mol. Mass.

595.634

SMILES

OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1ccc(cc1)S(N)(=O)=O |r,wU:18.18,12.14,wD:9.7,(24.17,-9.75,;25.51,-10.52,;25.51,-12.06,;26.84,-9.75,;28.17,-10.52,;28.17,-8.96,;26.84,-8.21,;8.49,-17.32,;9.81,-18.09,;11.15,-17.33,;12.49,-18.1,;13.83,-17.34,;13.83,-15.79,;12.5,-15.03,;11.16,-15.79,;15.16,-15.02,;15.16,-13.48,;16.49,-15.79,;17.83,-15.02,;17.83,-13.48,;19.16,-12.71,;20.49,-13.49,;21.83,-12.72,;21.83,-11.18,;20.49,-10.41,;19.16,-11.18,;19.16,-15.79,;20.56,-15.17,;21.59,-16.31,;20.82,-17.65,;19.32,-17.32,;23.12,-16.15,;23.74,-14.75,;25.27,-14.59,;26.18,-15.83,;25.55,-17.24,;24.02,-17.4,;27.71,-15.66,;28.62,-16.91,;27.3,-14.17,;28.8,-14.56,)|

Structure