Ki Summary

Reaction Details

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Target

Bifunctional epoxide hydrolase 2

Ligand

BDBM158497

Substrate/Competitor

n/a

Meas. Tech.

sEH Assay

IC50

0.5±n/a nM

Citation

Hammock, BD; Hwang, SH; Wecksler, AT; Morisseau, C Sorafenib derivatives as sEH inhibitors US Patent US9029401 Publication Date 5/12/2015

More Info.:

Get all data from this article, Assay Method

Bifunctional epoxide hydrolase 2

Name:

Bifunctional epoxide hydrolase 2

Synonyms:

Type:

Enzyme

Mol. Mass.:

62613.07

Organism:

Homo sapiens (Human)

Description:

P34913

Residue:

555

Sequence:

MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITL
SQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTA
ILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEV
VFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHG
YVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESS
APPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNT
PFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMH
KVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSL
GRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIK
WLDSDARNPPVVSKM

BDBM158497

n/a

Name

BDBM158497

Synonyms:

US9029401, 2578

Type

Small organic molecule

Emp. Form.

C24H27F3N4O4

Mol. Mass.

492.4908

SMILES

FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccnc(c2)C(=O)N2CCCC2)cc1 |r,wU:16.19,wD:13.12,(-12.52,.77,;-11.19,,;-11.19,-1.54,;-12.52,-.77,;-9.85,.77,;-8.52,,;-7.19,.77,;-5.85,,;-5.85,-1.54,;-4.52,-2.31,;-3.19,-1.54,;-3.19,,;-1.85,-2.31,;-.52,-1.54,;.82,-2.31,;2.15,-1.54,;2.15,,;.82,.77,;-.52,,;3.48,.77,;4.82,,;4.82,-1.54,;6.15,-2.31,;7.48,-1.54,;7.48,,;6.15,.77,;8.82,.77,;8.82,2.31,;10.15,,;10.15,-1.54,;11.62,-2.02,;12.52,-.77,;11.62,.48,;-7.19,-2.31,;-8.52,-1.54,)|

Structure