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| Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16512 ((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...) | GoogleScholar PDB | MMDB PC cid PC sid PDB | -11.2 | 6.88 | -18.0 | 8.18 | 8 | 24.9 | |
UMR 7104 du CNRS | J Med Chem 48: 5659-65 (2005) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM228821 (ALR2 inhibitor, 8) | GoogleScholar PDB | PC cid PC sid | -10.6 | -5.09 | -15.7 | 10.7 | 8 | 24.9 | |
Philipps-Universität Marburg | ACS Chem Biol 12: 1397-1415 (2017) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM228822 (ALR2 inhibitor, 11) | GoogleScholar PDB | PC cid PC sid PDB | -10.4 | -2.94 | -13.3 | 10.6 | 8 | 24.9 | |
Philipps-Universität Marburg | ACS Chem Biol 12: 1397-1415 (2017) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16238 (2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...) | GoogleScholar PDB | DrugBank MMDB PC cid PC sid PDB | -10.2 | 4.63 | -14.8 | 7.50 | 8 | 24.9 | |
University of Marburg | J Mol Biol 368: 618-38 (2007) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16239 (2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}ph...) | GoogleScholar PDB | DrugBank MMDB PC cid PC sid PDB | -10.1 | 8.81 | -18.9 | 7.40 | 8 | 24.9 | |
University of Marburg | J Mol Biol 368: 618-38 (2007) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM228825 (2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...) | GoogleScholar PDB | PC cid PC sid PDB | -9.96 | -2.14 | -12.1 | n/a | 8 | 24.9 | |
Philipps-Universität Marburg | ACS Chem Biol 12: 1397-1415 (2017) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM228825 (2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...) | GoogleScholar PDB | PC cid PC sid PDB | -9.91 | -2.98 | -12.9 | 10.3 | 8 | 24.9 | |
Philipps-Universität Marburg | ACS Chem Biol 12: 1397-1415 (2017) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16313 (2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...) | GoogleScholar PDB | DrugBank MMDB PC cid PC sid PDB | -9.77 | n/a | n/a | 7.17 | n/a | 24.9 | |
Philipps-University Marburg | J Mol Biol 356: 45-56 (2006) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | -9.08 | n/a | n/a | 6.66 | n/a | 24.9 | |
Philipps-University Marburg | J Mol Biol 356: 45-56 (2006) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16312 ((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...) | GoogleScholar PDB | CHEBI DrugBank MMDB PC cid PC sid PDB | -9.05 | n/a | n/a | 6.65 | n/a | 24.9 | |
Philipps-University Marburg | J Mol Biol 356: 45-56 (2006) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16312 ((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...) | GoogleScholar PDB | CHEBI DrugBank MMDB PC cid PC sid PDB | -9.05 | 3.32 | -12.4 | 6.65 | 8 | 24.9 | |
UMR 7104 du CNRS | J Med Chem 48: 5659-65 (2005) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16233 (4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -8.46 | -2.34 | -6.11 | 6.22 | 8 | 24.9 | |
University of Marburg | J Mol Biol 368: 618-38 (2007) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) | GoogleScholar PDB | DrugBank MMDB PC cid PC sid PDB | -8.24 | n/a | n/a | 6.04 | n/a | 24.9 | |
Philipps-University Marburg | J Mol Biol 356: 45-56 (2006) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM228824 (2-(5-Fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy)ace...) | GoogleScholar PDB | PC cid PC sid PDB | -7.52 | -3.51 | -11.0 | 8.55 | 8 | 24.9 | |
Philipps-Universität Marburg | ACS Chem Biol 12: 1397-1415 (2017) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16235 (2-{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sul...) | GoogleScholar PDB | CHEBI DrugBank MMDB PC cid PC sid PDB | -7.48 | -5.40 | -2.08 | 5.49 | 8 | 24.9 | |
University of Marburg | J Mol Biol 368: 618-38 (2007) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM228823 (2-(2-Carbamoyl-5-fluorophenoxy)acetic acid (4)) | GoogleScholar PDB | PC cid PC sid PDB | -7.07 | -1.35 | -8.46 | 8.18 | 8 | 24.9 | |
Philipps-Universität Marburg | ACS Chem Biol 12: 1397-1415 (2017) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM228823 (2-(2-Carbamoyl-5-fluorophenoxy)acetic acid (4)) | GoogleScholar PDB | PC cid PC sid PDB | -7.02 | -2.28 | -9.31 | 8.14 | 8 | 24.9 | |
Philipps-Universität Marburg | ACS Chem Biol 12: 1397-1415 (2017) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM228820 (2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...) | GoogleScholar PDB | PC cid PC sid | -7.00 | -0.142 | -7.14 | 8.12 | 8 | 24.9 | |
Philipps-Universität Marburg | ACS Chem Biol 12: 1397-1415 (2017) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM228820 (2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...) | GoogleScholar PDB | PC cid PC sid | -6.88 | -0.427 | -7.31 | 8.04 | 8 | 24.9 | |
Philipps-Universität Marburg | ACS Chem Biol 12: 1397-1415 (2017) | |||||||||
| Aldose reductase (AR) (Homo sapiens (Human)) | BDBM228826 (3-((2-(Carboxymethoxy)-4-fluorobenzamido)methyl)be...) | GoogleScholar PDB | PC cid PC sid PDB | -6.07 | -2.63 | -8.69 | 7.44 | 8 | 24.9 | |
Philipps-Universität Marburg | ACS Chem Biol 12: 1397-1415 (2017) | |||||||||
