Ki Summary

Reaction Details

Report a problem with these data

Target

Bifunctional epoxide hydrolase 2

Ligand

BDBM50012059

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1352417 (CHEMBL3270577)

2.4±n/a nM

Citation

Burmistrov, V; Morisseau, C; Lee, KS; Shihadih, DS; Harris, TR; Butov, GM; Hammock, BD Symmetric adamantyl-diureas as soluble epoxide hydrolase inhibitors. Bioorg Med Chem Lett24:2193-7 (2014) [PubMed] Article

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

BDBM50012059

n/a

Name

BDBM50012059

Synonyms:

CHEMBL3263302

Type

Small organic molecule

Emp. Form.

C30H50N4O2

Mol. Mass.

498.7436

SMILES

O=C(NCCCCCCCCNC(=O)NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3 |TLB:24:23:21:17.19.18,25:26:28:31.30.32,14:15:21.20.22:17.18.24,THB:24:18:21:15.23.22,33:34:28:31.30.32,33:31:28:34.35.26,26:34:30:28.27.32,26:27:30:34.35.33,14:15:21:17.19.18,19:20:15:17.18.24,19:18:15:21.20.22,(30.44,-12.61,;30.47,-11.07,;29.15,-10.27,;27.82,-11.05,;26.49,-10.27,;25.16,-11.05,;23.82,-10.27,;22.48,-11.05,;21.15,-10.27,;19.82,-11.05,;18.49,-10.27,;17.16,-11.04,;15.82,-10.28,;15.82,-8.74,;14.49,-11.05,;13.15,-10.29,;11.96,-11.24,;10.81,-10.38,;10.36,-9.04,;8.61,-8.92,;9.88,-9.82,;10.33,-11.27,;11.11,-8.82,;12.72,-8.84,;11.51,-8.1,;31.81,-10.33,;33.12,-11.12,;33.1,-12.63,;32.15,-13.86,;33.78,-13.24,;35.15,-13.82,;36.1,-12.76,;34.56,-13.25,;36.1,-11.25,;34.69,-10.68,;33.83,-11.83,)|

Structure