PDB Information

PDB5PGV
MethodX-RAY DIFFRACTION
Host OrganismEscherichia coli
Gene SourceHomo sapiens
Primary Citation
Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
Ye, X.Y., Chen, S.Y., Wu, S., Yoon, D.S., Wang, H., Hong, Z., O'Connor, S.P., Li, J., Li, J.J., Kennedy, L.J., Walker, S.J., Nayeem, A., Sheriff, S., Camac, D.M., Ramamurthy, V., Morin, P.E., Zebo, R., Taylor, J.R., Morgan, N.N., Ponticiello, R.P., Harrity, T., Apedo, A., Golla, R., Seethala, R., Wang, M., Harper, T.W., Sleczka, B.G., He, B., Kirby, M., Leahy, D.K., Li, J., Hanson, R.L., Guo, Z., Li, Y.X., DiMarco, J.D., Scaringe, R., Maxwell, B., Moulin, F., Barrish, J.C., Gordon, D.A., Robl, J.A.
J. Med. Chem.
HeaderOxidoreductase/Oxidoreductase Inhibitor
Released2017-02-06
Resolution2.350
CATH Insert Date14 Nov, 2017

PDB Images (9)

PDB Prints

PDB Chains (4)

Chain ID Date inserted into CATH CATH Status
A 14 Nov, 2017 Chopped
B 14 Nov, 2017 Chopped
D 14 Nov, 2017 Chopped
E 14 Nov, 2017 Chopped

CATH Domains (4)

Domain ID Date inserted into CATH Superfamily CATH Status
5pgvA00 10 Dec, 2017 3.40.50.720 Assigned
5pgvB01 10 Dec, 2017 3.40.50.720 Assigned
5pgvD01 10 Dec, 2017 3.40.50.720 Assigned
5pgvE00 10 Dec, 2017 3.40.50.720 Assigned

UniProtKB Entries (4)

Accession Gene ID Taxon Description
P28845 DHI1_HUMAN Homo sapiens Corticosteroid 11-beta-dehydrogenase isozyme 1
P28845 DHI1_HUMAN Homo sapiens Corticosteroid 11-beta-dehydrogenase isozyme 1
P28845 DHI1_HUMAN Homo sapiens Corticosteroid 11-beta-dehydrogenase isozyme 1
P28845 DHI1_HUMAN Homo sapiens Corticosteroid 11-beta-dehydrogenase isozyme 1