Ki Summary

Reaction Details

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Target

C-8 sterol isomerase ERG2

Ligand

BDBM50170662

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_303390 (CHEMBL839961)

1170±n/a nM

Citation

Laggner, C; Schieferer, C; Fiechtner, B; Poles, G; Hoffmann, RD; Glossmann, H; Langer, T; Moebius, FF Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening. J Med Chem48:4754-64 (2005) [PubMed] Article

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Get all data from this article, Assay Method

C-8 sterol isomerase ERG2

Name:

C-8 sterol isomerase ERG2

Synonyms:

C-8 sterol isomerase | Delta-8--delta-7 sterol isomerase | ERG2 | ERG2_YEAST

Type:

PROTEIN

Mol. Mass.:

24892.29

Organism:

Saccharomyces cerevisiae

Description:

ChEMBL_303390

Residue:

222

Sequence:

MKFFPLLLLIGVVGYIMNVLFTTWLPTNYMFDPKTLNEICNSVISKHNAAEGLSTEDLLQ
DVRDALASHYGDEYINRYVKEEWVFNNAGGAMGQMIILHASVSEYLILFGTAVGTEGHTG
VHFADDYFTILHGTQIAALPYATEAEVYTPGMTHHLKKGYAKQYSMPGGSFALELAQGWI
PCMLPFGFLDTFSSTLDLYTLYRTVYLTARDMGKNLLQNKKF

BDBM50170662

n/a

Name

BDBM50170662

Synonyms:

4a,5',6a,7-tetramethyl-(2S,4aR,4bS,6aS,6bR,7S,8'R,9aS,10aS,10bR)-spiro[2,3,4,4a,4b,5,6,6a,6b,7,8,9a,10,10a,10b,11-hexadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-8,2'-(4'H,5'H,6'H-pyridine)]-2-ol | CHEMBL372484

Type

Small organic molecule

Emp. Form.

C27H43NO2

Mol. Mass.

413.6358

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CCC(C)CN1 |t:8|

Structure