PDB Entry - 10QS (pdb_000010qs)

(Status - Released)

Summary information:

Title: N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors Compound 13 ((3'R)-1'-{5-amino-1-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one)

PDB DOI: https://doi.org/10.2210/pdb10qs/pdb

Primary publication DOI: https://doi.org/10.1021/acsmedchemlett.6c00066

Entry authors: Merchant, R.R., Chernyak, N., Lopez, J.A., Sharp, P.P., Mandal, M., He, J., Hruza, A., Rearden, P., Tatosian, D.A., Lin, K., Esmay, J., Yany, S., Cheng, A., Ellsworth, K., Piou, T., Fier, P., Hicks, J., Sinz, C., Ogowa, A.

Initial deposition on: 2 February 2026

Initial release on: 11 March 2026

Latest revision on: 11 March 2026

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Structure coordinates (PDBx/mmCIF)

Structure coordinates (PDBML)

X-ray diffraction data (PDBx/mmCIF)

Validation report (PDF)

Validation report (XML)

Validation report (mmCIF)

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