Compile Data Set for Download or QSAR

Found 733 hits Enz. Inhib. hit(s) with Target = 'Sepiapterin reductase'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 259 (N-Cyclopropyl-7-hydroxy-4-isobutyl-5-oxo-3-((pyrid...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 394 (N-Cyclopropyl-4-hydroxy-1-neopentyl-2,8-dioxo-1,2,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 753 (3-((E)-3-((1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 370 ((R,E)-N-Cyclopropyl-7-hydroxy-4-((1-methylcyclopro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 372 ((R,E)-N-Cyclopropyl-7-hydroxy-3-(3-(3-(methoxymeth...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 532 ((R,E)-N-Cyclopropyl-7-hydroxy-4-isobutyl-3-(3-(3-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 401 (N-Cyclopropyl-9-hydroxy-6-neopentyl-2,7-dioxo-1,2,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 517 ((E)-N-Cyclopropyl-7-hydroxy-4-isobutyl-3-(3-((2-me...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 514 ((E)-N-Cyclopropyl-3-(3-(1,1-dioxidothiomorpholino)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 369 ((S,E)-N-Cyclopropyl-7-hydroxy-4-((1-methylcyclopro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 456 ((E)-3-(3-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-o...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 497 ((E)-N-Cyclopropyl-3-(3-(cyclopropyl(methyl)amino)-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 417 ((S,E)-2-Amino-N-cyclopropyl-7-hydroxy-4-isobutyl-3...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 416 ((E)-2-Amino-N-cyclopropyl-7-hydroxy-4-isobutyl-3-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 521 ((S,E)-N-Cyclopropyl-7-hydroxy-3-(3-(2-(hydroxymeth...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 450 ((E)-N6-Cyclopropyl-7-hydroxy-4-isobutyl-3-(3-morph...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 386 ((E)-N-Cyclopropyl-7-hydroxy-4-((4-methyltetrahydro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 755 (N-Cyclopropyl-3-((E)-3-(trans-3,4-difluoropyrrolid...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 516 ((E)-N-Cyclopropyl-7-hydroxy-4-isobutyl-5-oxo-3-(3-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 371 ((S,E)-N-Cyclopropyl-7-hydroxy-3-(3-(3-(methoxymeth...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 418 ((R,E)-2-Amino-N-cyclopropyl-7-hydroxy-4-isobutyl-3...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 368 ((E)-3-(3-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-o...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 403 (N-Cyclopropyl-4-hydroxy-1-neopentyl-2,8-dioxo-1,2,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 367 ((E)-3-(3-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)-3-o...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 556 (N-Cyclopropyl-3-((E)-3-((3R,5R)-3,5-dimethylmorpho...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 582 ((E)-N-Cyclopropyl-7-hydroxy-2-methyl-3-(3-morpholi...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 364 ((E)-N-Cyclopropyl-4-((1-fluorocyclopropyl)methyl)-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 404 (N-Cyclopropyl-4-hydroxy-1-isobutyl-2,8-dioxo-1,2,7...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 402 (N-Cyclopropyl-7-hydroxy-4-neopentyl-2,5-dioxo-2,3,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 681 ((E)-3-(3-((Cyanomethyl)(methyl)amino)-3-oxoprop-1-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 477 ((E)-3-(3-(4-Carbamoylpiperidin-1-yl)-3-oxoprop-1-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 221 (N6-Cyclopropyl-7-hydroxy-4-isobutyl-5-oxo-N3-((tet...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 539 (3-((E)-3-((1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 533 ((E)-3-(3-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)-3-o...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 525 ((S,E)-N-Cyclopropyl-7-hydroxy-3-(3-(3-(hydroxymeth...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 411 ((E)-2-Amino-N-cyclopropyl-7-hydroxy-3-(3-morpholin...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 443 ((E)-2-Amino-N-cyclopropyl-7-hydroxy-5-oxo-4-((tetr...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 33 (N6-Cyclopropyl-7-hydroxy-4-neopentyl-5-oxo-4,5-dih...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 375 (3-((E)-3-((1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 231 (N6-Cyclopropyl-7-hydroxy-4-isobutyl-5-oxo-N3-(pyri...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 365 ((E)-N-Cyclopropyl-7-hydroxy-4-(2-methoxy-2-methylp...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 374 (3-((E)-3-((1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 227 (N-Cyclopropyl-7-hydroxy-4-isobutyl-3-(morpholine-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 545 ((S,E)-7-Hydroxy-4-isobutyl-3-(3-morpholino-3-oxopr...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 631 ((E)-N-Cyclopropyl-7-hydroxy-4-isobutyl-2-methyl-5-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 445 ((E)-2-Amino-N-cyclopropyl-7-hydroxy-4-((4-methylte...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 540 ((R,E)-N-Cyclopropyl-3-(3-(3-ethylmorpholino)-3-oxo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 432 (N-Cyclopropyl-3-((E)-3-((3S,5S)-3,5-dimethylmorpho...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 518 ((E)-N-Cyclopropyl-7-hydroxy-3-(3-((2-hydroxy-2-met...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sepiapterin reductase (Homo sapiens (Human))	US20240092784, Example 569 ((E)-3-(3-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-o...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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