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10mv

;N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors complex with Compound 15 ((3'R)-1'-(5-amino-1-phenyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one) ;

Method: X-RAY DIFFRACTION Dmax: 58.6 Å Quality: GOOD

SAXS Profile

SAXS profile for 10mv

P(r) Distribution

P(r) distribution for 10mv
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1. Structure Basics

entry_id10mv
deposition_date2026-01-28
last_revision2026-04-01
title;N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors complex with Compound 15 ((3'R)-1'-(5-amino-1-phenyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one) ;
keywordsHYDROLASE-INHIBITOR complex; HYDROLASE/INHIBITOR
methodX-RAY DIFFRACTION
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Download Data

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2. SAXS Parameters (CRYSOL)

rg_guinier18.07 Å
rg_electron16.81 Å
i012920400.00
molecular_weight26906.0 kDa
excluded_volume33687 ų
envelope_volume38395 ų
shell_volume18472 ų
envelope_diameter58.5 Å
shell_rg23.57 Å
envelope_rg17.25 Å
shape_rg16.88 Å
total_rg17.66 Å
total_atoms3740
n_residues231
n_harmonics20
q_range— – 0.5000 Å−1
n_points101
shell_typedirectional
solvent_density0.3340 e/ų
contrast_shell0.0300 e/ų
crysol_version4.1.3
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3. P(r) Analysis (GNOM)

dmax58.6 Å
rg_real17.93 Å
rg_real_error0.29 Å
i0_real1.2920e+07
i0_real_error1.3140e+05
rg_reciprocal17.95 Å
i0_reciprocal12920000.0000
total_estimate0.8823
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary22.9 Å
skewness0.133
kurtosis-0.412
angular_range— – 0.4400 Å−1
current_alpha0.0000
highest_alpha4422000.0000
n_real_points75
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.826; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.999
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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

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6. Citations (1)

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7. Files & Curves (10)