DT-Web

DB03785 - (3r,5r)-7-((1r,2r,6s,8r,8as)-2,6-Dimethyl-8-{[(2r)-2-Methylbutanoyl]Oxy}-1,2,6,7,8,8a-Hexahydronaphthalen-1-Yl)-3,5-Dihydroxyheptanoic Acid


Identification
Name (3r,5r)-7-((1r,2r,6s,8r,8as)-2,6-Dimethyl-8-{[(2r)-2-Methylbutanoyl]Oxy}-1,2,6,7,8,8a-Hexahydronaphthalen-1-Yl)-3,5-Dihydroxyheptanoic Acid
Accession Number DB03785 (EXPT02067)
Type small molecule
Description Not Available
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 422.5549
Groups experimental
Monoisotopic Weight 422.266838948
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


3-hydroxy-3-methylglutaryl-coenzyme A reductase
Name 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Gene Name mvaA
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 0.0867

Predictions


Id Partner name Gene Name Score
4589 3-hydroxy-3-methylglutaryl CoA synthase mvaS 0.1258
631 3-hydroxy-3-methylglutaryl-coenzyme A reductase HMGCR 0.0867
4576 Aac(6')-Ii protein aac(6')-Ii 0.0115
2528 Fatty acid metabolism regulator protein fadR 0.0115
6740 Fatty acid metabolism regulator protein fadR 0.0115
4567 Putative acyl-CoA thioester hydrolase HI0827 HI_0827 0.0115
4564 YvbK protein yvbK 0.0115
4577 4'-phosphopantetheinyl transferase sfp sfp 0.0115
4579 Serine acetyltransferase cysE 0.0115
6807 Serine acetyltransferase cysE 0.0115
4566 Acyl-CoA hydrolase BC_2038 0.0115
4572 Acyl-CoA hydrolase BH0798 0.0115
4037 Hypothetical protein GPX1 0.0115
4297 Hypothetical protein SP_1951 0.0115
4521 Hypothetical protein BC_2969 0.0115
4540 Hypothetical protein TM_1070 0.0115
4555 Hypothetical protein MT1739 0.0115
4569 Hypothetical protein mshD 0.0115
4578 Hypothetical protein PA3270 0.0115
4747 Hypothetical protein PA3967 0.0115
5177 Hypothetical protein TM_0096 0.0115
5194 Hypothetical protein PA1204 0.0115
5240 Hypothetical protein Rv2991 0.0115
5370 Hypothetical protein TM_1158 0.0115
5710 Hypothetical protein Tb927.5.1360 0.0115
3317 Holo-[acyl-carrier-protein] synthase acpS 0.01
4381 Holo-[acyl-carrier-protein] synthase acpS 0.01
3560 Gentamicin 3'-acetyltransferase aacC1 0.01
4563 Acetyl transferase rimL 0.01
2409 Acetyl-CoA acetyltransferase, cytosolic ACAT2 0.01
4565 Aminoglycoside 6'-N-acetyltransferase aac(6')-Iy 0.01
3489 Acetyl-coenzyme A synthetase acs 0.01
3125 Protease synthase and sporulation negative regulatory protein PAI 1 paiA 0.01
4574 PROBABLE NAPHTHOATE SYNTHASE MENB menB 0.01
3024 Crotonobetainyl-CoA:carnitine CoA-transferase caiB 0.01
2396 Formyl-coenzyme A transferase frc 0.01
3457 Formyl-coenzyme A transferase frc 0.01
3199 Phosphopantetheine adenylyltransferase coaD 0.0092
3543 Phosphopantetheine adenylyltransferase coaD 0.0092
3567 Phosphopantetheine adenylyltransferase coaD 0.0092
5289 Phosphopantetheine adenylyltransferase coaD 0.0092
2285 Streptogramin A acetyltransferase vatD 0.0092
2560 Galactoside O-acetyltransferase lacA 0.0092
3697 Bifunctional protein glmU [Includes: UDP-N-acetylglucosamine pyrophosphorylase glmU 0.0092
2377 Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex Not Available 0.0092
2248 Malate synthase G glcB 0.0092
3190 Malate synthase G glcB 0.0092
3178 Formate acetyltransferase 1 pflB 0.0092
4573 Histone acetyltransferase PCAF KAT2B 0.0092
4404 FcbC1 protein fcbC 0.0087
2371 Pantothenate kinase coaA 0.0087
551 Carnitine O-acetyltransferase CRAT 0.0086
2376 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase dapD 0.0083
615 3-oxoacyl-[acyl-carrier-protein] synthase 3 fabH 0.0077
3138 3-oxoacyl-[acyl-carrier-protein] synthase 3 fabH 0.0077
4568 3-oxoacyl-[acyl-carrier-protein] synthase 3 fabH 0.0077
6370 3-oxoacyl-[acyl-carrier-protein] synthase 3 fabH 0.0077
4388 Aminoglycoside 2'-N-acetyltransferase aac 0.0076
2596 Acetyl-CoA acetyltransferase phbA 0.0076
4446 3alpha-hydroxysteroid dehydrogenase/carbonyl reductase Not Available 0.0033
4428 Redox-sensing transcriptional repressor rex rex 0.0033
4507 Alanine dehydrogenase ald 0.0033
4455 Glycerol dehydrogenase gldA 0.0033
4495 3-oxoacyl-(Acyl carrier protein) reductase TM_1169 0.0033
3735 NAD(P) transhydrogenase subunit alpha part 1 pntAA 0.0033
4336 Glyceraldehyde 3-phosphate dehydrogenase Not Available 0.0033
4436 Glyceraldehyde 3-phosphate dehydrogenase tthHB8IM 0.0033
4502 Formate dehydrogenase Not Available 0.0033
4423 Levodione reductase lvr 0.0033
4487 Transcriptional regulator nadR nadR 0.0033
4505 Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase bphB 0.0033
4456 Inorganic polyphosphate/ATP-NAD kinase ppnK 0.0033
4448 L-2-hydroxyisocaproate dehydrogenase Not Available 0.0033
4500 L-lactate dehydrogenase 2 ldh2 0.0033
4447 Hypothetical protein yhfP yhfP 0.0033
3381 Alcohol dehydrogenase Not Available 0.0033
4508 Alcohol dehydrogenase adhA 0.0033
4414 Dehydrogenase TT_P0035 0.0033
2350 3-isopropylmalate dehydrogenase leuB 0.0033
3092 3-isopropylmalate dehydrogenase leuB 0.0033
4471 CDP-D-glucose-4,6-dehydratase ascB 0.0033
4418 AGR_L_3209p AGR_L_3209 0.0033
4475 Hypothetical protein Rv0046c/MT0052 ino1 0.0033
4497 Benzyl alcohol dehydrogenase xylB 0.0033
4449 ADP-ribosyltransferase Not Available 0.0033
4506 Myo-inositol-1-phosphate synthase-related protein TM_1419 0.0033
4466 Glutathione-independent formaldehyde dehydrogenase fdhA 0.0033
3729 Citrate synthase gltA 0.0033
4575 Citrate synthase cit 0.0033
4580 Citrate synthase gltA 0.0033
4435 L-aspartate dehydrogenase nadX 0.0033
4451 Vip2Ac vip2Ac 0.0033
4472 Glucose 1-dehydrogenase Not Available 0.0033
4467 Alpha-glucosidase, putative TM_0752 0.0033
4443 Quinate/shikimate dehydrogenase ydiB 0.0033
180 D-3-phosphoglycerate dehydrogenase PHGDH 0.0033
3726 D-3-phosphoglycerate dehydrogenase serA 0.0033
4291 D-3-phosphoglycerate dehydrogenase serA 0.0033
3087 Nicotinate-nucleotide adenylyltransferase nadD 0.0029
4469 Nicotinate-nucleotide adenylyltransferase nadD 0.0029
4486 Phenol 2-hydroxylase component B pheA2 0.0029
2831 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase Not Available 0.0029
3059 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase fabG3 0.0029
2336 2,3-diketo-L-gulonate reductase dlgD 0.0029
4498 Ornithine cyclodeaminase PP3533 0.0029
6698 Dehydrogenase/reductase SDR family member 4-like 2 DHRS4L2 0.0029
4503 NADPH-flavin oxidoreductase frp 0.0029
3615 Dihydrodipicolinate reductase dapB 0.0029
3618 Dihydrodipicolinate reductase dapB 0.0029
4462 Dihydrodipicolinate reductase dapB 0.0029
3671 7-alpha-hydroxysteroid dehydrogenase hdhA 0.0029
4509 Acetoin(diacetyl) reductase budC 0.0029
4484 2,5-diketo-D-gluconic acid reductase A dkgA 0.0029
2393 Maltose-6'-phosphate glucosidase glvA 0.0029
3598 dTDP-4-dehydrorhamnose reductase rfbD 0.0029
2424 L-lactate dehydrogenase ldh 0.0029
2641 L-lactate dehydrogenase Not Available 0.0029
4437 L-lactate dehydrogenase ldh 0.0029
4442 L-lactate dehydrogenase ldh 0.0029
1199 GPI-linked NAD(P)(+)--arginine ADP-ribosyltransferase 1 ART1 0.0029
3401 D-2-hydroxyisocaproate dehydrogenase Not Available 0.0029
126 D-lactate dehydrogenase dld 0.0029
3545 D-lactate dehydrogenase Not Available 0.0029
4510 D-lactate dehydrogenase ldhA 0.0029
4427 TDP-glucose-4,6-dehydratase desIV 0.0029
2967 CDP-paratose 2-epimerase rfbE 0.0029
3081 3-dehydroquinate synthase aroB 0.0029
3177 dTDP-glucose 4,6-dehydratase rfbB 0.0029
4499 dTDP-glucose 4,6-dehydratase rmlB 0.0029
2018 Deoxyhypusine synthase DHPS 0.0029
4482 UDP-galactose 4-epimerase galE 0.0029
4439 Ferredoxin reductase bphA4 0.0029
2538 6-phospho-beta-glucosidase bglT bglT 0.0029
4496 C-terminal-binding protein 1 CTBP1 0.0029
4450 Iota toxin component Ia Not Available 0.0029
4477 Dihydrolipoyl dehydrogenase lpdV 0.0029
5077 Dihydrolipoyl dehydrogenase Not Available 0.0029
5117 Dihydrolipoyl dehydrogenase lpd 0.0029
2881 Gamma-aminobutyraldehyde dehydrogenase prr 0.0029
2591 Urocanate hydratase hutU 0.0029
2507 Diphtheria toxin Not Available 0.0029
2683 Mono-ADP-ribosyltransferase C3 C3 0.0027
3367 GDP-mannose 6-dehydrogenase algD 0.0027
4343 Alpha-glucosidase aglA 0.0027
3736 Glyceraldehyde-3-phosphate dehydrogenase A gapA 0.0027
4504 WbpP Not Available 0.0027
711 UDP-glucose 6-dehydrogenase UGDH 0.0027
3672 UDP-glucose 6-dehydrogenase hasB 0.0027
4440 NADH peroxidase npr 0.0027
2799 Glyceraldehyde-3-phosphate dehydrogenase, glycosomal Not Available 0.0027
4318 Siroheme synthase cysG 0.0027
3296 Nicotinamide mononucleotide adenylyltransferase 1 NMNAT1 0.0027
816 Biliverdin reductase A BLVRA 0.0026
579 Alcohol dehydrogenase class 4 mu/sigma chain ADH7 0.0026
792 Aldehyde dehydrogenase, dimeric NADP-preferring ALDH3A1 0.0026
316 4-trimethylaminobutyraldehyde dehydrogenase ALDH9A1 0.0026
4476 Mannitol dehydrogenase mtlD 0.0026
63 Malate dehydrogenase mdh 0.0025
2329 Malate dehydrogenase mdh 0.0025
3445 Malate dehydrogenase mdh 0.0025
4420 Malate dehydrogenase mdh 0.0025
4438 Malate dehydrogenase mdh 0.0025
2434 NH(3)-dependent NAD(+) synthetase nadE 0.0025
2910 NH(3)-dependent NAD(+) synthetase nadE 0.0025
3217 NH(3)-dependent NAD(+) synthetase nadE 0.0025
3070 Adenosylhomocysteinase AHCY 0.0025
4424 Adenosylhomocysteinase PFE1050w 0.0025
6278 Adenosylhomocysteinase ahcY 0.0025
3191 Histidinol dehydrogenase hisD 0.0025
2826 Glucose--fructose oxidoreductase gfo 0.0025
5325 2,4-dienoyl-CoA reductase, mitochondrial DECR1 0.0025
3333 Nicotinamide mononucleotide adenylyltransferase 3 NMNAT3 0.0025
2617 Nitric oxide synthase oxygenase nos 0.0025
2701 Nitric oxide synthase oxygenase nos 0.0025
1799 Glucose-6-phosphate 1-dehydrogenase G6PD 0.0025
2630 Glucose-6-phosphate 1-dehydrogenase zwf 0.0025
350 3-hydroxyacyl-CoA dehydrogenase type-2 HSD17B10 0.0025
178 NADH-cytochrome b5 reductase 3 CYB5R3 0.0025
646 Malate dehydrogenase, cytoplasmic MDH1 0.0025
328 Sorbitol dehydrogenase SORD 0.0025
396 Alcohol dehydrogenase 4 ADH4 0.0025
597 Dihydropteridine reductase QDPR 0.0025
812 Dihydrolipoyl dehydrogenase, mitochondrial DLD 0.0025
363 NADP-dependent malic enzyme, mitochondrial ME3 0.0025
454 Peroxisomal multifunctional enzyme type 2 HSD17B4 0.0025
327 Glutathione reductase gor 0.0024
5110 Glutathione reductase GR2 0.0024
5766 NAD-dependent deacetylase sirtuin-5 SIRT5 0.0024
419 Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial HADH 0.0024
77 L-lactate dehydrogenase B chain LDHB 0.0024
12 Alcohol dehydrogenase class 3 ADH5 0.0024
4491 DNA ligase, NAD-dependent ligA 0.0023
2286 Isocitrate dehydrogenase [NADP] icd 0.0023
2302 Isocitrate dehydrogenase [NADP] icd 0.0023
2771 Isocitrate dehydrogenase [NADP] icd 0.0023
473 L-lactate dehydrogenase A chain LDHA 0.0023
599 Glyceraldehyde-3-phosphate dehydrogenase GAPDH 0.0023
4426 Glyceraldehyde-3-phosphate dehydrogenase gap 0.0023
4454 Glyceraldehyde-3-phosphate dehydrogenase gap 0.0023
4489 Glyceraldehyde-3-phosphate dehydrogenase gap 0.0023
794 Glyceraldehyde-3-phosphate dehydrogenase, testis-specific GAPDHS 0.0023
830 Glutamate dehydrogenase 2, mitochondrial GLUD2 0.0023
2762 UDP-glucose 4-epimerase GALE 0.0022
3461 UDP-glucose 4-epimerase galE 0.0022
166 NAD-dependent malic enzyme, mitochondrial ME2 0.0022
6861 Alcohol dehydrogenase [NADP+] AKR1A1 0.0022
569 Retinal dehydrogenase 2 ALDH1A2 0.0021
611 Retinal dehydrogenase 1 ALDH1A1 0.0021
201 Glutamate dehydrogenase 1, mitochondrial GLUD1 0.0021
251 Alcohol dehydrogenase 1A ADH1A 0.0021
796 Inosine-5'-monophosphate dehydrogenase 2 IMPDH2 0.002
217 Estradiol 17-beta-dehydrogenase 1 HSD17B1 0.002
444 Alcohol dehydrogenase 1B ADH1B 0.0019
368 Enoyl-[acyl-carrier-protein] reductase [NADH] inhA 0.0019
3228 Enoyl-[acyl-carrier-protein] reductase [NADH] fabI 0.0019
3678 Enoyl-[acyl-carrier-protein] reductase [NADH] fabI 0.0019
6856 Enoyl-[acyl-carrier-protein] reductase [NADH] fabI 0.0019
714 Glutathione reductase, mitochondrial GSR 0.0018
147 Aldehyde dehydrogenase, mitochondrial ALDH2 0.0018
517 Alcohol dehydrogenase 1C ADH1C 0.0018
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