Ki Summary

Reaction Details

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Target

Alpha-1-antitrypsin

Ligand

BDBM629198

Substrate/Competitor

n/a

Meas. Tech.

Biochemical Assay (Z-AAT Elastase Activity Assay)

IC50

>5000±n/a nM

Citation

GIROUX, S; CLARK, MP; TANG, Q; NUHANT, PM; JONES, P; MESSERSMITH, D; BANDARAGE, UK; COTTRELL, KM; BRODNEY, MA; FLEMING, GS; WANG, J; XU, J; DANIEL, KB; BOYD, MJ; MORRIS, MA; WAAL, ND; COLLIER, PN; KESAVAN, S; RONKIN, SM; DENG, H; BOUCHER, DM; FANNING, LT; HALL, AB; HURLEY, DJ; JOHNSON, Jr., MA; MAXWELL, JP; SWETT, RJ; TAPLEY, TL; THOMSON, SA; DAMAGNEZ, V MODULATORS OF ALPHA-1 ANTITRYPSIN US Patent US20230339915 Publication Date 10/26/2023

More Info.:

Get all data from this article, Assay Method

Alpha-1-antitrypsin

Name:

Alpha-1-antitrypsin

Synonyms:

Alpha-1 protease inhibitor | Alpha-1-antiproteinase | Serpin A1

Type:

Protein

Mol. Mass.:

46727.42

Organism:

Human

Description:

P01009

Residue:

418

Sequence:

MPSSVSWGILLLAGLCCLVPVSLAEDPQGDAAQKTDTSHHDQDHPTFNKITPNLAEFAFS
LYRQLAHQSNSTNIFFSPVSIATAFAMLSLGTKADTHDEILEGLNFNLTEIPEAQIHEGF
QELLRTLNQPDSQLQLTTGNGLFLSEGLKLVDKFLEDVKKLYHSEAFTVNFGDTEEAKKQ
INDYVEKGTQGKIVDLVKELDRDTVFALVNYIFFKGKWERPFEVKDTEEEDFHVDQVTTV
KVPMMKRLGMFNIQHCKKLSSWVLLMKYLGNATAIFFLPDEGKLQHLENELTHDIITKFL
ENEDRRSASLHLPKLSITGTYDLKSVLGQLGITKVFSNGADLSGVTEEAPLKLSKAVHKA
VLTIDEKGTEAAGAMFLEAIPMSIPPEVKFNKPFVFLMIEQNTKSPLFMGKVVNPTQK

BDBM629198

n/a

Name

BDBM629198

Synonyms:

US20230339915, Compound 75

Type

Small organic molecule

Emp. Form.

C23H23ClFNO3

Mol. Mass.

415.885

SMILES

CC(C)c1c([C@H]2C[C@@](C)(C2)C(O)=O)c2cc(O)ccc2n1-c1ccc(F)c(Cl)c1 |r,wU:5.4,7.7,wD:7.10,(3.97,1.31,;3.18,-.01,;3.92,-1.36,;1.64,.02,;.73,1.26,;1.24,2.72,;.47,4.05,;1.81,4.82,;1.06,6.17,;2.58,3.49,;3.18,5.51,;4.47,4.66,;3.2,7.04,;-.73,.79,;-2.07,1.56,;-3.4,.79,;-4.74,1.54,;-3.4,-.75,;-2.07,-1.52,;-.73,-.75,;.73,-1.23,;1.22,-2.69,;.23,-3.87,;.76,-5.32,;2.28,-5.58,;2.76,-7.04,;3.26,-4.4,;4.74,-4.83,;2.74,-2.96,)|

Structure