DT-Web

DB07530 - (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol


Identification
Name (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol
Accession Number DB07530
Type small molecule
Description Not Available
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 482.4995
Groups experimental
Monoisotopic Weight 482.22556412
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


Nuclear receptor coactivator 1
Name Nuclear receptor coactivator 1
Gene Name NCOA1
Pharmacological action unknown
Actions Not Available
References
  • 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 0.8582
Vitamin D3 receptor
Name Vitamin D3 receptor
Gene Name VDR
Pharmacological action unknown
Actions Not Available
References
  • 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 1.0114

Predictions


Id Partner name Gene Name Score
869 Estrogen receptor beta ESR2 0.3028
3997 Cytochrome P450 24A1, mitochondrial CYP24A1 0.1823
493 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial CYP27B1 0.1168
6891 Mediator of RNA polymerase II transcription subunit 1 MED1 0.0935
80 Peroxisome proliferator-activated receptor alpha PPARA 0.0866
238 Peroxisome proliferator-activated receptor gamma PPARG 0.066
3233 Bile acid receptor NR1H4 0.0588
1992 Vitamin D-binding protein GC 0.0578
581 Cytochrome P450 2R1 CYP2R1 0.0377
606 Cytochrome P450 27, mitochondrial CYP27A1 0.0339
6350 Nuclear receptor subfamily 1 group I member 3 NR1I3 0.0318
4512 Cytochrome P450 3A4 CYP3A4 0.0314
364 Corticosteroid 11-beta-dehydrogenase isozyme 1 HSD11B1 0.0262
1757 Myeloperoxidase MPO 0.0248
136 Estrogen receptor ESR1 0.0229
6105 3-oxo-5-beta-steroid 4-dehydrogenase AKR1D1 0.0226
6025 UDP-glucuronosyltransferase 1-4 UGT1A4 0.0216
737 Mineralocorticoid receptor NR3C2 0.0212
6241 Nuclear receptor coactivator 2 NCOA2 0.02
1502 Peroxisome proliferator-activated receptor delta PPARD 0.0198
2907 Oxysterols receptor LXR-beta NR1H2 0.0185
6283 Oxysterols receptor LXR-alpha NR1H3 0.0185
459 Retinoic acid receptor RXR-alpha RXRA 0.0183
1284 Nuclear receptor subfamily 1 group I member 2 NR1I2 0.0117
88 Retinoic acid receptor RXR-beta RXRB 0.0117
992 Protein tyrosine kinase 2 beta PTK2B 0.0084
6182 Cytochrome P450 2J2 CYP2J2 0.0079
6017 Cholesterol side-chain cleavage enzyme, mitochondrial CYP11A1 0.006
373 Transthyretin TTR 0.0058
817 DNA topoisomerase 2-alpha TOP2A 0.0048
862 Multidrug resistance-associated protein 1 ABCC1 0.0042
6024 Cytochrome P450 1A1 CYP1A1 0.0041
1732 ATP-binding cassette sub-family G member 2 ABCG2 0.004
6030 Cytochrome P450 2B6 CYP2B6 0.0039
4924 Cytochrome P450 2C8 CYP2C8 0.0036
6016 Cytochrome P450 2C19 CYP2C19 0.0034
4757 Cytochrome P450 2C9 CYP2C9 0.0033
4119 Cytochrome P450 2D6 CYP2D6 0.0032
6753 Apolipoprotein M APOM 0.0032
2528 Fatty acid metabolism regulator protein fadR 0.0032
6740 Fatty acid metabolism regulator protein fadR 0.0032
394 Calcineurin subunit B isoform 1 PPP3R1 0.0032
6742 Recoverin RCVRN 0.0032
6752 Guanylyl cyclase-activating protein 1 GUCA1A 0.0032
6743 Non-fluorescent flavoprotein luxF 0.0032
6747 Chalcone/stilbene synthase family protein MT1417 0.0032
6741 Peroxisomal 3,2-trans-enoyl-CoA isomerase PECI 0.0032
6522 Hepatocyte nuclear factor 4-alpha HNF4A 0.0032
6746 Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform PPP3CA 0.0032
6751 Gag polyprotein gag 0.0032
6749 Polyprotein Not Available 0.0032
4200 Cytochrome P450 1A2 CYP1A2 0.003
1588 Multidrug resistance protein 1 ABCB1 0.003
5961 Insulin INS 0.0028
6527 Lymphocyte antigen 96 LY96 0.0028
6755 Poliovirus receptor PVR 0.0028
6750 ADP-ribosylation factor 6 ARF6 0.0026
4373 Medium-chain-fatty-acid--CoA ligase Not Available 0.0025
5432 Trafficking protein particle complex subunit 3 TRAPPC3 0.0025
6524 Protein tonB tonB 0.0025
2616 Ganglioside GM2 activator GM2A 0.0024
2435 UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase lpxC 0.0023
6613 UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase lpxC 0.0023
4210 Toll-like receptor 4 TLR4 0.0023
2297 Genome polyprotein Not Available 0.0022
2322 Genome polyprotein Not Available 0.0022
2694 Genome polyprotein Not Available 0.0022
2719 Genome polyprotein Not Available 0.0022
2860 Genome polyprotein Not Available 0.0022
2928 Genome polyprotein Not Available 0.0022
3160 Genome polyprotein Not Available 0.0022
3260 Genome polyprotein Not Available 0.0022
4783 Genome polyprotein Not Available 0.0022
5726 Genome polyprotein Not Available 0.0022
5779 Genome polyprotein Not Available 0.0022
5867 Genome polyprotein Not Available 0.0022
6253 Genome polyprotein Not Available 0.0022
6301 Genome polyprotein Not Available 0.0022
6380 Genome polyprotein Not Available 0.0022
6381 Genome polyprotein Not Available 0.0022
6437 Genome polyprotein Not Available 0.0022
6520 Genome polyprotein Not Available 0.0022
6521 Genome polyprotein Not Available 0.0022
6652 Genome polyprotein Not Available 0.0022
6734 Genome polyprotein Not Available 0.0022
6735 Genome polyprotein Not Available 0.0022
6736 Genome polyprotein Not Available 0.0022
6737 Genome polyprotein Not Available 0.0022
6738 Genome polyprotein Not Available 0.0022
6739 Genome polyprotein Not Available 0.0022
6744 Genome polyprotein Not Available 0.0022
6748 Genome polyprotein Not Available 0.0022
6894 Genome polyprotein Not Available 0.0022
6898 Genome polyprotein Not Available 0.0022
6316 ADP-ribosylation factor 1 ARF1 0.0022
864 Gag-Pol polyprotein gag-pol 0.002
2237 Gag-Pol polyprotein gag-pol 0.002
2326 Gag-Pol polyprotein gag-pol 0.002
2451 Gag-Pol polyprotein gag-pol 0.002
2901 Gag-Pol polyprotein gag-pol 0.002
3165 Gag-Pol polyprotein gag-pol 0.002
3722 Gag-Pol polyprotein gag-pol 0.002
6306 Gag-Pol polyprotein gag-pol 0.002
6624 Gag-Pol polyprotein gag-pol 0.002
6085 Fatty acid-binding protein, intestinal FABP2 0.0018
2427 Ferrichrome-iron receptor fhuA 0.0018
17 Proto-oncogene tyrosine-protein kinase ABL1 ABL1 0.0017
768 FK506-binding protein 1A FKBP1A 0.0017
6264 cAMP-dependent protein kinase inhibitor alpha PKIA 0.0016
6263 cAMP-dependent protein kinase catalytic subunit alpha PRKACA 0.0015
465 Calmodulin CALM1 0.0013
587 Serum albumin ALB 0.0009
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