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DB03393 - (3s,6s,9r,10r,11s,12s,13e,15e,18s,21s)-18-{(1e,3e,7s,8s)-9-[(2s,3r,4s,5s,6r,9s,11s)-9-Ethyl-4-Hydroxy-3,5,11-Trimethyl-8-Oxo-1-Oxa-7-Azaspiro[5.5]Undec-2-Yl]-8-Hydroxy-1,7-Dimethylnona-1,3-Dienyl}-10,12-Dihydroxy-3-(3-Hydroxybenzyl)-6-Isopropyl-11-Methyl-


Identification
Name (3s,6s,9r,10r,11s,12s,13e,15e,18s,21s)-18-{(1e,3e,7s,8s)-9-[(2s,3r,4s,5s,6r,9s,11s)-9-Ethyl-4-Hydroxy-3,5,11-Trimethyl-8-Oxo-1-Oxa-7-Azaspiro[5.5]Undec-2-Yl]-8-Hydroxy-1,7-Dimethylnona-1,3-Dienyl}-10,12-Dihydroxy-3-(3-Hydroxybenzyl)-6-Isopropyl-11-Methyl-
Accession Number DB03393 (EXPT02889)
Type small molecule
Description Not Available
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 1090.3902
Groups experimental
Monoisotopic Weight 1089.661338023
Pharmacology
Indication Not Available
Mechanism of action Not Available
Absorption Not Available
Protein binding Not Available
Biotransformation Not Available
Route of elimination Not Available
Toxicity Not Available
Affected organisms Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available

Targets


Peptidyl-prolyl cis-trans isomerase A
Name Peptidyl-prolyl cis-trans isomerase A
Gene Name PPIA
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
  • Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. - Pubmed
DTHybrid score 1.0222

Predictions


Id Partner name Gene Name Score
6700 Peptidyl-prolyl cis-trans isomerase A ppiA 1.0222
4085 Peptidyl-prolyl cis-trans isomerase C PPIC 0.0161
4083 Peptidyl-prolyl cis-trans isomerase H PPIH 0.0157
4086 Peptidyl-prolyl cis-trans isomerase G PPIG 0.0154
4090 Chromosome 14 open reading frame 149 C14orf149 0.0154
4082 Proline oxidase, mitochondrial PRODH 0.0154
4087 Pyrroline 5-carboxylate reductase isoform P5CR2 0.0154
4088 Probable prolyl-tRNA synthetase, mitochondrial PARS2 0.0154
797 Sodium-dependent proline transporter SLC6A7 0.0154
4084 Peptidyl-prolyl cis-trans isomerase B PPIB 0.0153
2554 Peptidyl-prolyl cis-trans isomerase, mitochondrial PPIF 0.0149
3868 Calcineurin subunit B isoform 2 PPP3R2 0.0148
421 Calcium signal-modulating cyclophilin ligand CAMLG 0.0148
4000 Prolyl 4-hydroxylase subunit alpha-2 P4HA2 0.0124
802 Pyrroline-5-carboxylate reductase 2 PYCR2 0.0123
248 Pyrroline-5-carboxylate reductase 1 PYCR1 0.0123
3874 Proline synthetase co-transcribed bacterial homolog protein PROSC 0.0122
210 Bifunctional aminoacyl-tRNA synthetase [Includes: Glutamyl-tRNA synthetase EPRS 0.012
471 Sodium- and chloride-dependent neutral and basic amino acid transporter B(0+) SLC6A14 0.0114
3949 Prolyl 3-hydroxylase 2 LEPREL1 0.011
3951 Prolyl 3-hydroxylase 3 LEPREL2 0.011
3945 Prolyl 3-hydroxylase 1 LEPRE1 0.011
6140 Ileal sodium/bile acid cotransporter SLC10A2 0.0104
67 Prolyl 4-hydroxylase subunit alpha-1 P4HA1 0.0102
6141 Sodium/bile acid cotransporter SLC10A1 0.0085
6148 Multidrug resistance-associated protein 7 ABCC10 0.0078
6151 Monocarboxylate transporter 10 SLC16A10 0.0074
1709 Canalicular multispecific organic anion transporter 2 ABCC3 0.007
776 Bile salt export pump ABCB11 0.0068
1490 Solute carrier organic anion transporter family member 1B1 SLCO1B1 0.0063
862 Multidrug resistance-associated protein 1 ABCC1 0.0063
6139 Solute carrier organic anion transporter family member 1A2 SLCO1A2 0.0062
1732 ATP-binding cassette sub-family G member 2 ABCG2 0.0059
1735 Canalicular multispecific organic anion transporter 1 ABCC2 0.0058
1729 Solute carrier family 22 member 6 SLC22A6 0.0053
6107 Cytochrome P450 3A7 CYP3A7 0.0051
4118 Cytochrome P450 3A5 CYP3A5 0.0049
4924 Cytochrome P450 2C8 CYP2C8 0.0048
6016 Cytochrome P450 2C19 CYP2C19 0.0046
1588 Multidrug resistance protein 1 ABCB1 0.0045
4757 Cytochrome P450 2C9 CYP2C9 0.0044
4119 Cytochrome P450 2D6 CYP2D6 0.0044
4512 Cytochrome P450 3A4 CYP3A4 0.004
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