Ki Summary

Reaction Details

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Target

Coagulation factor X

Ligand

BDBM12869

Substrate/Competitor

BDBM12658

Meas. Tech.

Enzyme Assay and Determination of the Inhibition Constants.

7±n/a

Temperature

295.15±n/a K

0.35±n/a nM

Citation

Li, YL; Fevig, JM; Cacciola, J; Buriak, J; Rossi, KA; Jona, J; Knabb, RM; Luettgen, JM; Wong, PC; Bai, SA; Wexler, RR; Lam, PY Preparation of 1-(3-aminobenzo[d]isoxazol-5-yl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective, and efficacious inhibitors of coagulation factor Xa. Bioorg Med Chem Lett16:5176-82 (2006) [PubMed] Article

More Info.:

Get all data from this article, Solution Info, Assay Method

Coagulation factor X

Name:

Coagulation factor X

Synonyms:

Type:

Enzyme

Mol. Mass.:

54726.60

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

488

Sequence:

MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEE
TCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKN
CELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERR
KRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQE
CKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGE
AVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGI
VSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSG
GPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPE
VITSSPLK

BDBM12869

BDBM12658

Name

BDBM12869

Synonyms:

1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione | pyrazolo[4,3-d]pyrimidindione 26a

Type

Small organic molecule

Emp. Form.

C25H19F4N9O3

Mol. Mass.

569.4705

SMILES

CN(C)Cc1nccn1-c1ccc(c(F)c1)-n1c(=O)[nH]c2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F |(5.96,5.32,;5.96,3.78,;7.29,3.01,;4.63,3.01,;4.63,1.47,;5.87,.57,;5.4,-.9,;3.86,-.9,;3.38,.57,;2.05,1.34,;.71,.57,;-.62,1.34,;-.62,2.88,;.71,3.65,;.71,5.19,;2.05,2.88,;-2.11,3.28,;-2.58,4.74,;-1.55,5.89,;-4.09,5.06,;-5.12,3.92,;-6.66,3.92,;-7.14,2.45,;-5.89,1.55,;-5.89,.01,;-7.23,-.76,;-7.23,-2.3,;-5.89,-3.07,;-5.57,-4.58,;-4.04,-4.74,;-3.41,-3.33,;-1.91,-3.01,;-4.56,-2.3,;-4.56,-.76,;-4.65,2.45,;-3.14,2.13,;-2.74,.65,;-7.57,5.16,;-8.34,6.5,;-6.28,6,;-8.86,4.33,)|

Structure