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3'-hydroxyalternariol 5-O-methyl ether

Family: Fungi - Pleosporaceae
Kingdom: Fungi
Class: Coumarin
- Subclass: Coumestan

Canonical Smiles	COc1cc(O)c2c(c1)c1c(C)cc(c(c1oc2=O)O)O
InChI	InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
InChIKey	BVYAURIYXKOUPX-UHFFFAOYSA-N
Formula	C₁₅H₁₂O₆
HBA	6
HBD	3
MW	288.25
Rotatable Bonds	1
TPSA	100.13
LogP	2.38
Number Rings	3
Number Aromatic Rings	3
Heavy Atom Count	21
Formal Charge	0
Fraction CSP3	0.13
Exact Mass	288.06
Number of Lipinski Rule Violations	0

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Alternaria species	Pleosporaceae	Fungi	5598
2	Alternaria species	Pleosporineae	Fungi	5598

Showing of synonyms

Aly AH, Edrada-Ebel R, et al. (2008). Cytotoxic metabolites from the fungal endophyte Alternaria sp. and their subsequent detection in its host plant Polygonum senegalense. Journal of Natural Products,2008,71(6),972-980. [View] [PubMed]

Pubchem: 24899916

Cas: 959417-17-5

Zinc: ZINC000040938655

Nmrshiftdb2: 80005813

Chembl: CHEMBL520144

Bindingdb: 50479266

No compound-protein relationship available.

SMILES: c1cccc(c1c23)oc(=O)c2cccc3

Level: 0

Mol. Weight: 288.25 g/mol

Cytotoxic

Kinase inhibitory

Absorption

Caco-2 (logPapp): -4.86
Human Oral Bioavailability 20%: Non-Bioavailable
Human Intestinal Absorption: Absorbed
Madin-Darby Canine Kidney: -4.880
Human Oral Bioavailability 50%: Non-Bioavailable
P-Glycoprotein Inhibitor: Non-Inhibitor
P-Glycoprotein Substrate: Non-Substrate
Skin Permeability: -1.31

Distribution

Blood-Brain Barrier (CNS): -
Blood-Brain Barrier: Non-Penetrable
Fraction Unbound (Human): 1.460
Plasma Protein Binding: 78.1
Steady State Volume of Distribution: -

Metabolism

Breast Cancer Resistance Protein: Inhibitor
CYP 1A2 Inhibitor: Inhibitor
CYP 1A2 Substrate: Non-Substrate
CYP 2C19 Inhibitor: Inhibitor
CYP 2C19 Substrate: Non-Substrate
CYP 2C9 Inhibitor: Non-Inhibitor
CYP 2C9 Substrate: Substrate
CYP 2D6 Inhibitor: Inhibitor
CYP 2D6 Substrate: Non-Substrate
CYP 3A4 Inhibitor: Non-Inhibitor
CYP 3A4 Substrate: Non-Substrate
OATP1B1: Non-Inhibitor
OATP1B3: Non-Inhibitor

Excretion

Clearance: 6.530
Organic Cation Transporter 2: Non-Inhibitor
Half-Life of Drug: -

Toxicity

AMES Mutagenesis: Safe
Avian: Safe
Bee: Safe
Bioconcentration Factor: 0.710
Biodegradation: Safe
Carcinogenesis: Safe
Crustacean: Toxic
Liver Injury I (DILI): Toxic
Eye Corrosion: Safe
Eye Irritation: Toxic
Maximum Tolerated Dose: 0.960
Liver Injury II: Toxic
hERG Blockers: Safe
Daphnia Maga: 4.800
Micronucleos: Toxic
NR-AhR: Toxic
NR-AR: Safe
NR-AR-LBD: Safe
NR-Aromatase: Safe
NR-ER: Safe
NR-ER-LBD: Safe
NR-GR: Safe
NR-PPAR-gamma: Safe
NR-TR: Safe
T. Pyriformis: 4.820
Rat (Acute): 2.420
Rat (Chronic Oral): 2.920
Fathead Minnow: 4.430
Respiratory Disease: Safe
Skin Sensitisation: Safe
SR-ARE: Toxic
SR-ATAD5: Safe
SR-HSE: Safe
SR-MMP: Toxic
SR-p53: Safe

General Properties

Boiling Point: 453.310
Hydration Free Energy: -9.540
Log(D) at pH=7.4: 1.780
Log(P): 2.64
Log S: -4.89
Log(Vapor Pressure): -6.81
Melting Point: 253.85
pKa Acid: 9.03
pKa Basic: 4.55

Protein Name	UniProt ID	Entry Name	Species	#Pharmacophore Points	Probability (0.7 ≤ Tversky Score ≤ 1.0)
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.9346
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.9346
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	PDE10_HUMAN	Homo sapiens	3	0.9296
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	PDE10_HUMAN	Homo sapiens	3	0.9296
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	O76083	PDE9A_HUMAN	Homo sapiens	4	0.9271
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	O76083	PDE9A_HUMAN	Homo sapiens	4	0.9271
cGMP-dependent 3',5'-cyclic phosphodiesterase	O00408	PDE2A_HUMAN	Homo sapiens	3	0.9181
cGMP-dependent 3',5'-cyclic phosphodiesterase	O00408	PDE2A_HUMAN	Homo sapiens	3	0.9181
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	O76083	PDE9A_HUMAN	Homo sapiens	3	0.8890
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	O76083	PDE9A_HUMAN	Homo sapiens	3	0.8890
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	4	0.8883
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	4	0.8883
Mitogen-activated protein kinase 8	P45983	MK08_HUMAN	Homo sapiens	3	0.8831
Mitogen-activated protein kinase 8	P45983	MK08_HUMAN	Homo sapiens	3	0.8831
Photosynthetic reaction center cytochrome c subunit	P07173	CYCR_BLAVI	Blastochloris viridis	3	0.8798
Photosynthetic reaction center cytochrome c subunit	P07173	CYCR_BLAVI	Blastochloris viridis	3	0.8798
Tyrosine-protein kinase Lck	P06239	LCK_HUMAN	Homo sapiens	4	0.8791
Tyrosine-protein kinase Lck	P06239	LCK_HUMAN	Homo sapiens	4	0.8791
Basic phospholipase A2 VRV-PL-VIIIa	P59071	PA2B8_DABRR	Daboia russelii	4	0.8783
Basic phospholipase A2 VRV-PL-VIIIa	P59071	PA2B8_DABRR	Daboia russelii	4	0.8783
Methionine aminopeptidase 2	P9WK19	MAP12_MYCTU	Mycobacterium tuberculosis	3	0.8782
Methionine aminopeptidase 2	P9WK19	MAP12_MYCTU	Mycobacterium tuberculosis	3	0.8782
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	O76083	PDE9A_HUMAN	Homo sapiens	3	0.8780
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	O76083	PDE9A_HUMAN	Homo sapiens	3	0.8780
Casein kinase II subunit alpha'	P19784	CSK22_HUMAN	Homo sapiens	3	0.8742
Casein kinase II subunit alpha'	P19784	CSK22_HUMAN	Homo sapiens	3	0.8742
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.8736
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.8736
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase	Q9TQS6	DHDH_MACFA	Macaca fascicularis	3	0.8683
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase	Q9TQS6	DHDH_MACFA	Macaca fascicularis	3	0.8683
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	5	0.8628
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	5	0.8628
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	3	0.8626
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	3	0.8626
APH(2'')-Id	O68183	O68183_ENTCA	Enterococcus casseliflavus	4	0.8612
APH(2'')-Id	O68183	O68183_ENTCA	Enterococcus casseliflavus	4	0.8612
NAD(P)H dehydrogenase [quinone] 1	P15559	NQO1_HUMAN	Homo sapiens	4	0.8577
NAD(P)H dehydrogenase [quinone] 1	P15559	NQO1_HUMAN	Homo sapiens	4	0.8577
Biflaviolin synthase CYP158A1	Q9KZF5	C1581_STRCO	Streptomyces coelicolor / M145)	3	0.8571
Biflaviolin synthase CYP158A1	Q9KZF5	C1581_STRCO	Streptomyces coelicolor / M145)	3	0.8571
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	O76083	PDE9A_HUMAN	Homo sapiens	4	0.8567
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	O76083	PDE9A_HUMAN	Homo sapiens	4	0.8567
Liver carboxylesterase 1	P23141	EST1_HUMAN	Homo sapiens	3	0.8546
Liver carboxylesterase 1	P23141	EST1_HUMAN	Homo sapiens	3	0.8546
HTH-type transcriptional regulator QacR	P0A0N4	QACR_STAAU	Staphylococcus aureus	3	0.8496
HTH-type transcriptional regulator QacR	P0A0N4	QACR_STAAU	Staphylococcus aureus	3	0.8496
Heat shock protein HSP 90-alpha	P07900	HS90A_HUMAN	Homo sapiens	3	0.8485
Heat shock protein HSP 90-alpha	P07900	HS90A_HUMAN	Homo sapiens	3	0.8485
Toxoflavin degrading enzyme	E3SET7	E3SET7_PAEPO	Paenibacillus polymyxa	3	0.8481
Toxoflavin degrading enzyme	E3SET7	E3SET7_PAEPO	Paenibacillus polymyxa	3	0.8481
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	4	0.8477
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	4	0.8477
2-phospho-L-lactate transferase	Q8PVT6	COFD_METMA	Methanosarcina mazei	3	0.8449
2-phospho-L-lactate transferase	Q8PVT6	COFD_METMA	Methanosarcina mazei	3	0.8449
Mitogen-activated protein kinase kinase kinase 5	Q99683	M3K5_HUMAN	Homo sapiens	3	0.8437
Mitogen-activated protein kinase kinase kinase 5	Q99683	M3K5_HUMAN	Homo sapiens	3	0.8437
Bromodomain-containing protein 2	P25440	BRD2_HUMAN	Homo sapiens	3	0.8429
Bromodomain-containing protein 2	P25440	BRD2_HUMAN	Homo sapiens	3	0.8429
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B	Q13370	PDE3B_HUMAN	Homo sapiens	4	0.8418
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B	Q13370	PDE3B_HUMAN	Homo sapiens	4	0.8418
High affinity 3',5'-cyclic-AMP phosphodiesterase 7A	Q13946	PDE7A_HUMAN	Homo sapiens	4	0.8382
High affinity 3',5'-cyclic-AMP phosphodiesterase 7A	Q13946	PDE7A_HUMAN	Homo sapiens	4	0.8382
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.8360
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.8360
Serine/threonine-protein kinase Chk1	O14757	CHK1_HUMAN	Homo sapiens	4	0.8340
Serine/threonine-protein kinase Chk1	O14757	CHK1_HUMAN	Homo sapiens	4	0.8340
cGMP-specific 3',5'-cyclic phosphodiesterase	O76074	PDE5A_HUMAN	Homo sapiens	4	0.8306
cGMP-specific 3',5'-cyclic phosphodiesterase	O76074	PDE5A_HUMAN	Homo sapiens	4	0.8306
Soluble acetylcholine receptor	Q8WSF8	Q8WSF8_APLCA	Aplysia californica	3	0.8276
Soluble acetylcholine receptor	Q8WSF8	Q8WSF8_APLCA	Aplysia californica	3	0.8276
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.8221
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.8221
Lysozyme C II	P11941	LYSC2_ONCMY	Oncorhynchus mykiss	3	0.8213
Lysozyme C II	P11941	LYSC2_ONCMY	Oncorhynchus mykiss	3	0.8213
Casein kinase II subunit alpha	P68400	CSK21_HUMAN	Homo sapiens	3	0.8210
Casein kinase II subunit alpha	P68400	CSK21_HUMAN	Homo sapiens	3	0.8210
Mitogen-activated protein kinase 8	P45983	MK08_HUMAN	Homo sapiens	4	0.8192
Mitogen-activated protein kinase 8	P45983	MK08_HUMAN	Homo sapiens	4	0.8192
Serine/threonine-protein kinase 24	Q9Y6E0	STK24_HUMAN	Homo sapiens	4	0.8179
Serine/threonine-protein kinase 24	Q9Y6E0	STK24_HUMAN	Homo sapiens	4	0.8179
Mitogen-activated protein kinase 8	P45983	MK08_HUMAN	Homo sapiens	3	0.8172
Mitogen-activated protein kinase 8	P45983	MK08_HUMAN	Homo sapiens	3	0.8172
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	3	0.8158
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	3	0.8158
11-beta-hydroxysteroid dehydrogenase 1	P28845	DHI1_HUMAN	Homo sapiens	3	0.8117
11-beta-hydroxysteroid dehydrogenase 1	P28845	DHI1_HUMAN	Homo sapiens	3	0.8117
Methionine aminopeptidase	P0AE18	MAP1_ECOLI	Escherichia coli	3	0.8106
Methionine aminopeptidase	P0AE18	MAP1_ECOLI	Escherichia coli	3	0.8106
Glycogen phosphorylase, muscle form	P00489	PYGM_RABIT	Oryctolagus cuniculus	3	0.8102
Glycogen phosphorylase, muscle form	P00489	PYGM_RABIT	Oryctolagus cuniculus	3	0.8102
Protoporphyrinogen oxidase	P50336	PPOX_HUMAN	Homo sapiens	3	0.8081
Protoporphyrinogen oxidase	P50336	PPOX_HUMAN	Homo sapiens	3	0.8081
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	3	0.8049
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	3	0.8049
Methionine aminopeptidase	P0AE18	MAP1_ECOLI	Escherichia coli	3	0.8048
Methionine aminopeptidase	P0AE18	MAP1_ECOLI	Escherichia coli	3	0.8048
Mitogen-activated protein kinase 8	P45983	MK08_HUMAN	Homo sapiens	3	0.8034
Mitogen-activated protein kinase 8	P45983	MK08_HUMAN	Homo sapiens	3	0.8034
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	PDE10_HUMAN	Homo sapiens	3	0.8030
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	PDE10_HUMAN	Homo sapiens	3	0.8030
Purine nucleoside phosphorylase	P00491	PNPH_HUMAN	Homo sapiens	3	0.8008
Purine nucleoside phosphorylase	P00491	PNPH_HUMAN	Homo sapiens	3	0.8008
Casein kinase II subunit alpha	P68400	CSK21_HUMAN	Homo sapiens	3	0.8003
Casein kinase II subunit alpha	P68400	CSK21_HUMAN	Homo sapiens	3	0.8003
Norsolorinic acid synthase	Q12053	AFLC_ASPPU	Aspergillus parasiticus	3	0.7984
Norsolorinic acid synthase	Q12053	AFLC_ASPPU	Aspergillus parasiticus	3	0.7984
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	3	0.7983
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	3	0.7983
Fibroblast growth factor receptor 2	P21802	FGFR2_HUMAN	Homo sapiens	3	0.7966
Fibroblast growth factor receptor 2	P21802	FGFR2_HUMAN	Homo sapiens	3	0.7966
17-beta-hydroxysteroid dehydrogenase 14	Q9BPX1	DHB14_HUMAN	Homo sapiens	3	0.7940
17-beta-hydroxysteroid dehydrogenase 14	Q9BPX1	DHB14_HUMAN	Homo sapiens	3	0.7940
Heat shock protein HSP 90-alpha	P07900	HS90A_HUMAN	Homo sapiens	3	0.7939
Heat shock protein HSP 90-alpha	P07900	HS90A_HUMAN	Homo sapiens	3	0.7939
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	3	0.7916
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	3	0.7916
Methionine aminopeptidase	P0AE18	MAP1_ECOLI	Escherichia coli	3	0.7915
Methionine aminopeptidase	P0AE18	MAP1_ECOLI	Escherichia coli	3	0.7915
Capsid protein	Q9WBP8	Q9WBP8_9VIRU	Adeno-associated virus - 1	3	0.7869
Capsid protein	Q9WBP8	Q9WBP8_9VIRU	Adeno-associated virus - 1	3	0.7869
Aldo-keto reductase family 1 member C2	P52895	AK1C2_HUMAN	Homo sapiens	3	0.7864
Aldo-keto reductase family 1 member C2	P52895	AK1C2_HUMAN	Homo sapiens	3	0.7864
MAP kinase-activated protein kinase 2	P49137	MAPK2_HUMAN	Homo sapiens	3	0.7856
MAP kinase-activated protein kinase 2	P49137	MAPK2_HUMAN	Homo sapiens	3	0.7856
Casein kinase II subunit alpha	P68400	CSK21_HUMAN	Homo sapiens	4	0.7852
Casein kinase II subunit alpha	P68400	CSK21_HUMAN	Homo sapiens	4	0.7852
Lactoylglutathione lyase	Q9CPU0	LGUL_MOUSE	Mus musculus	2	0.7847
Lactoylglutathione lyase	Q9CPU0	LGUL_MOUSE	Mus musculus	2	0.7847
Protoporphyrinogen oxidase	P50336	PPOX_HUMAN	Homo sapiens	3	0.7830
Protoporphyrinogen oxidase	P50336	PPOX_HUMAN	Homo sapiens	3	0.7830
Fibroblast growth factor receptor 2	P21802	FGFR2_HUMAN	Homo sapiens	3	0.7818
Fibroblast growth factor receptor 2	P21802	FGFR2_HUMAN	Homo sapiens	3	0.7818
Phosphatidylinositol 4-kinase beta	Q9UBF8	PI4KB_HUMAN	Homo sapiens	4	0.7805
Phosphatidylinositol 4-kinase beta	Q9UBF8	PI4KB_HUMAN	Homo sapiens	4	0.7805
Dihydroflavonol 4-reductase	P51110	DFRA_VITVI	Vitis vinifera	4	0.7800
Dihydroflavonol 4-reductase	P51110	DFRA_VITVI	Vitis vinifera	4	0.7800
Dihydroflavonol 4-reductase	P51110	DFRA_VITVI	Vitis vinifera	4	0.7797
Dihydroflavonol 4-reductase	P51110	DFRA_VITVI	Vitis vinifera	4	0.7797
Tetracycline repressor protein class H	P51561	TETR8_PASMD	Pasteurella multocida	3	0.7794
Tetracycline repressor protein class H	P51561	TETR8_PASMD	Pasteurella multocida	3	0.7794
DNA polymerase III subunit epsilon	P03007	DPO3E_ECOLI	Escherichia coli	3	0.7787
DNA polymerase III subunit epsilon	P03007	DPO3E_ECOLI	Escherichia coli	3	0.7787
cAMP-dependent protein kinase catalytic subunit alpha	P05132	KAPCA_MOUSE	Mus musculus	3	0.7770
cAMP-dependent protein kinase catalytic subunit alpha	P05132	KAPCA_MOUSE	Mus musculus	3	0.7770
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	3	0.7767
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	3	0.7767
NADPH-dependent oxidoreductase 2-alkenal reductase	Q39172	AER_ARATH	Arabidopsis thaliana	3	0.7755
NADPH-dependent oxidoreductase 2-alkenal reductase	Q39172	AER_ARATH	Arabidopsis thaliana	3	0.7755
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.7747
3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	PDE4D_HUMAN	Homo sapiens	3	0.7747
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	PDE10_HUMAN	Homo sapiens	3	0.7723
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	PDE10_HUMAN	Homo sapiens	3	0.7723
Ephrin type-B receptor 2	P54763	EPHB2_MOUSE	Mus musculus	3	0.7703
Ephrin type-B receptor 2	P54763	EPHB2_MOUSE	Mus musculus	3	0.7703
Aldo-keto reductase family 1 member D1	P51857	AK1D1_HUMAN	Homo sapiens	3	0.7643
Aldo-keto reductase family 1 member D1	P51857	AK1D1_HUMAN	Homo sapiens	3	0.7643
Aldo-keto reductase family 1 member C2	P52895	AK1C2_HUMAN	Homo sapiens	3	0.7634
Aldo-keto reductase family 1 member C2	P52895	AK1C2_HUMAN	Homo sapiens	3	0.7634
Carminomycin 4-O-methyltransferase DnrK	Q06528	DNRK_STRPE	Streptomyces peucetius	3	0.7616
Carminomycin 4-O-methyltransferase DnrK	Q06528	DNRK_STRPE	Streptomyces peucetius	3	0.7616
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	3	0.7613
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	3	0.7613
Multidrug transporter MdfA	P0AEY8	MDFA_ECOLI	Escherichia coli	3	0.7610
Multidrug transporter MdfA	P0AEY8	MDFA_ECOLI	Escherichia coli	3	0.7610
Casein kinase II subunit alpha	P68400	CSK21_HUMAN	Homo sapiens	4	0.7568
Casein kinase II subunit alpha	P68400	CSK21_HUMAN	Homo sapiens	4	0.7568
Genome polyprotein	O92972	POLG_HCVJ4	Hepatitis C virus genotype 1b	3	0.7557
Genome polyprotein	O92972	POLG_HCVJ4	Hepatitis C virus genotype 1b	3	0.7557
3-phosphoinositide-dependent protein kinase 1	O15530	PDPK1_HUMAN	Homo sapiens	4	0.7550
3-phosphoinositide-dependent protein kinase 1	O15530	PDPK1_HUMAN	Homo sapiens	4	0.7550
Aldo-keto reductase family 1 member C2	P52895	AK1C2_HUMAN	Homo sapiens	2	0.7528
Aldo-keto reductase family 1 member C2	P52895	AK1C2_HUMAN	Homo sapiens	2	0.7528
Beta-secretase 1	P56817	BACE1_HUMAN	Homo sapiens	3	0.7522
Beta-secretase 1	P56817	BACE1_HUMAN	Homo sapiens	3	0.7522
Tyrosine-protein kinase JAK3	P52333	JAK3_HUMAN	Homo sapiens	3	0.7500
Tyrosine-protein kinase JAK3	P52333	JAK3_HUMAN	Homo sapiens	3	0.7500
Serine/threonine-protein kinase Chk1	O14757	CHK1_HUMAN	Homo sapiens	4	0.7479
Serine/threonine-protein kinase Chk1	O14757	CHK1_HUMAN	Homo sapiens	4	0.7479
Death-associated protein kinase 1	P53355	DAPK1_HUMAN	Homo sapiens	3	0.7475
Death-associated protein kinase 1	P53355	DAPK1_HUMAN	Homo sapiens	3	0.7475
Chitinase A	Q9AMP1	Q9AMP1_VIBHA	Vibrio harveyi	2	0.7470
Chitinase A	Q9AMP1	Q9AMP1_VIBHA	Vibrio harveyi	2	0.7470
Glutamate receptor 2	P19491	GRIA2_RAT	Rattus norvegicus	3	0.7452
Glutamate receptor 2	P19491	GRIA2_RAT	Rattus norvegicus	3	0.7452
cGMP-specific 3',5'-cyclic phosphodiesterase	O76074	PDE5A_HUMAN	Homo sapiens	3	0.7444
cGMP-specific 3',5'-cyclic phosphodiesterase	O76074	PDE5A_HUMAN	Homo sapiens	3	0.7444
Aldo-keto reductase family 1 member D1	P51857	AK1D1_HUMAN	Homo sapiens	3	0.7414
Aldo-keto reductase family 1 member D1	P51857	AK1D1_HUMAN	Homo sapiens	3	0.7414
Serine/threonine-protein kinase Chk2	O96017	CHK2_HUMAN	Homo sapiens	3	0.7398
Serine/threonine-protein kinase Chk2	O96017	CHK2_HUMAN	Homo sapiens	3	0.7398
Beta-secretase 1	P56817	BACE1_HUMAN	Homo sapiens	3	0.7397
Beta-secretase 1	P56817	BACE1_HUMAN	Homo sapiens	3	0.7397
Tyrosine-protein kinase JAK2	O60674	JAK2_HUMAN	Homo sapiens	3	0.7370
Tyrosine-protein kinase JAK2	O60674	JAK2_HUMAN	Homo sapiens	3	0.7370
Heat shock protein HSP 90-alpha	P07900	HS90A_HUMAN	Homo sapiens	3	0.7368
Heat shock protein HSP 90-alpha	P07900	HS90A_HUMAN	Homo sapiens	3	0.7368
Proto-oncogene tyrosine-protein kinase Src	P00523	SRC_CHICK	Gallus gallus	3	0.7357
Proto-oncogene tyrosine-protein kinase Src	P00523	SRC_CHICK	Gallus gallus	3	0.7357
Riboflavin synthase	P0AFU8	RISA_ECOLI	Escherichia coli	3	0.7349
Riboflavin synthase	P0AFU8	RISA_ECOLI	Escherichia coli	3	0.7349
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	3	0.7342
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	3	0.7342
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	4	0.7340
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	4	0.7340
Endoplasmin	P14625	ENPL_HUMAN	Homo sapiens	3	0.7335
Endoplasmin	P14625	ENPL_HUMAN	Homo sapiens	3	0.7335
Nucleoprotein	P33469	NCAP_CVHOC	Human coronavirus OC43	3	0.7333
Nucleoprotein	P33469	NCAP_CVHOC	Human coronavirus OC43	3	0.7333
Pheromone-binding protein ASP1	Q9U9J6	Q9U9J6_APIME	Apis mellifera	3	0.7325
Pheromone-binding protein ASP1	Q9U9J6	Q9U9J6_APIME	Apis mellifera	3	0.7325
Tyrosine-protein kinase Lck	P06239	LCK_HUMAN	Homo sapiens	3	0.7309
Tyrosine-protein kinase Lck	P06239	LCK_HUMAN	Homo sapiens	3	0.7309
Polyribonucleotide nucleotidyltransferase	A7ZS61	PNP_ECO24	Escherichia coli O139:H28	3	0.7305
Polyribonucleotide nucleotidyltransferase	A7ZS61	PNP_ECO24	Escherichia coli O139:H28	3	0.7305
Cathepsin S	P25774	CATS_HUMAN	Homo sapiens	3	0.7299
Cathepsin S	P25774	CATS_HUMAN	Homo sapiens	3	0.7299
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	3	0.7276
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	3	0.7276
Alpha-ketoglutarate-dependent dioxygenase FTO	Q9C0B1	FTO_HUMAN	Homo sapiens	3	0.7274
Alpha-ketoglutarate-dependent dioxygenase FTO	Q9C0B1	FTO_HUMAN	Homo sapiens	3	0.7274
Tyrosine-protein kinase Lck	P06239	LCK_HUMAN	Homo sapiens	3	0.7271
Tyrosine-protein kinase Lck	P06239	LCK_HUMAN	Homo sapiens	3	0.7271
LIM domain kinase 1	P53667	LIMK1_HUMAN	Homo sapiens	3	0.7267
LIM domain kinase 1	P53667	LIMK1_HUMAN	Homo sapiens	3	0.7267
Glucose-1-phosphate thymidylyltransferase	Q9AGY4	Q9AGY4_ANETH	Aneurinibacillus thermoaerophilus	5	0.7257
Glucose-1-phosphate thymidylyltransferase	Q9AGY4	Q9AGY4_ANETH	Aneurinibacillus thermoaerophilus	5	0.7257
Aldo-keto reductase family 1 member C2	P52895	AK1C2_HUMAN	Homo sapiens	3	0.7249
Aldo-keto reductase family 1 member C2	P52895	AK1C2_HUMAN	Homo sapiens	3	0.7249
Focal adhesion kinase 1	Q05397	FAK1_HUMAN	Homo sapiens	3	0.7243
Focal adhesion kinase 1	Q05397	FAK1_HUMAN	Homo sapiens	3	0.7243
Lactotransferrin	P24627	TRFL_BOVIN	Bos taurus	2	0.7241
Lactotransferrin	P24627	TRFL_BOVIN	Bos taurus	2	0.7241
Androgen receptor	P10275	ANDR_HUMAN	Homo sapiens	3	0.7237
Androgen receptor	P10275	ANDR_HUMAN	Homo sapiens	3	0.7237
3-phosphoinositide-dependent protein kinase 1	O15530	PDPK1_HUMAN	Homo sapiens	3	0.7226
3-phosphoinositide-dependent protein kinase 1	O15530	PDPK1_HUMAN	Homo sapiens	3	0.7226
Pancreatic alpha-amylase	P04746	AMYP_HUMAN	Homo sapiens	2	0.7220
Pancreatic alpha-amylase	P04746	AMYP_HUMAN	Homo sapiens	2	0.7220
Beta-galactosidase	P00722	BGAL_ECOLI	Escherichia coli	3	0.7206
Beta-galactosidase	P00722	BGAL_ECOLI	Escherichia coli	3	0.7206
Retinoic acid receptor RXR-alpha	P19793	RXRA_HUMAN	Homo sapiens	3	0.7202
Retinoic acid receptor RXR-alpha	P19793	RXRA_HUMAN	Homo sapiens	3	0.7202
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	3	0.7191
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	3	0.7191
Aldo-keto reductase family 1 member B1	P15121	ALDR_HUMAN	Homo sapiens	4	0.7189
Aldo-keto reductase family 1 member B1	P15121	ALDR_HUMAN	Homo sapiens	4	0.7189
Beta-galactoside-specific lectin 4	Q6ITZ3	ML4_VISAL	Viscum album	2	0.7181
Beta-galactoside-specific lectin 4	Q6ITZ3	ML4_VISAL	Viscum album	2	0.7181
Focal adhesion kinase 1	Q00944	FAK1_CHICK	Gallus gallus	3	0.7179
Focal adhesion kinase 1	Q00944	FAK1_CHICK	Gallus gallus	3	0.7179
ADP compounds hydrolase NudE	P45799	NUDE_ECOLI	Escherichia coli	3	0.7165
ADP compounds hydrolase NudE	P45799	NUDE_ECOLI	Escherichia coli	3	0.7165
Bromodomain-containing protein 2	P25440	BRD2_HUMAN	Homo sapiens	3	0.7164
Bromodomain-containing protein 2	P25440	BRD2_HUMAN	Homo sapiens	3	0.7164
Mitogen-activated protein kinase 10	P53779	MK10_HUMAN	Homo sapiens	3	0.7157
Mitogen-activated protein kinase 10	P53779	MK10_HUMAN	Homo sapiens	3	0.7157
Cytochrome P450 monooxygenase	Q5YNS8	Q5YNS8_NOCFA	Nocardia farcinica	3	0.7146
Cytochrome P450 monooxygenase	Q5YNS8	Q5YNS8_NOCFA	Nocardia farcinica	3	0.7146
Gag-Pol polyprotein	P03367	POL_HV1BR	Human immunodeficiency virus type 1 group M subtype B	3	0.7144
Gag-Pol polyprotein	P03367	POL_HV1BR	Human immunodeficiency virus type 1 group M subtype B	3	0.7144
Protein mono-ADP-ribosyltransferase PARP3	Q9Y6F1	PARP3_HUMAN	Homo sapiens	3	0.7137
Protein mono-ADP-ribosyltransferase PARP3	Q9Y6F1	PARP3_HUMAN	Homo sapiens	3	0.7137
Lactotransferrin	P24627	TRFL_BOVIN	Bos taurus	3	0.7136
Lactotransferrin	P24627	TRFL_BOVIN	Bos taurus	3	0.7136
Cyclin-dependent kinase 6	Q00534	CDK6_HUMAN	Homo sapiens	3	0.7111
Cyclin-dependent kinase 6	Q00534	CDK6_HUMAN	Homo sapiens	3	0.7111
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	4	0.7109
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	4	0.7109
Flavin-dependent thymidylate synthase	Q9WYT0	THYX_THEMA	Thermotoga maritima	3	0.7108
Flavin-dependent thymidylate synthase	Q9WYT0	THYX_THEMA	Thermotoga maritima	3	0.7108
Protoporphyrinogen oxidase, mitochondrial	O24164	PPOM_TOBAC	Nicotiana tabacum	2	0.7102
Protoporphyrinogen oxidase, mitochondrial	O24164	PPOM_TOBAC	Nicotiana tabacum	2	0.7102
Ribosyldihydronicotinamide dehydrogenase [quinone]	P16083	NQO2_HUMAN	Homo sapiens	3	0.7100
Ribosyldihydronicotinamide dehydrogenase [quinone]	P16083	NQO2_HUMAN	Homo sapiens	3	0.7100
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	3	0.7089
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	3	0.7089
Eukaryotic translation initiation factor 4E type 3	Q9DBB5	IF4E3_MOUSE	Mus musculus	3	0.7085
Eukaryotic translation initiation factor 4E type 3	Q9DBB5	IF4E3_MOUSE	Mus musculus	3	0.7085
Bromodomain testis-specific protein	Q58F21	BRDT_HUMAN	Homo sapiens	3	0.7083
Bromodomain testis-specific protein	Q58F21	BRDT_HUMAN	Homo sapiens	3	0.7083
Poly [ADP-ribose] polymerase tankyrase-2	Q9H2K2	TNKS2_HUMAN	Homo sapiens	3	0.7081
Poly [ADP-ribose] polymerase tankyrase-2	Q9H2K2	TNKS2_HUMAN	Homo sapiens	3	0.7081
Adenylate cyclase 2	A0A2U2H3Y1	A0A384LKY8_YERPE	Yersinia pestis	3	0.7073
Adenylate cyclase 2	A0A2U2H3Y1	A0A384LKY8_YERPE	Yersinia pestis	3	0.7073
mitogen-activated protein kinase kinase	Q7YTF7	Q7YTF7_PLAF7	Plasmodium falciparum	4	0.7070
mitogen-activated protein kinase kinase	Q7YTF7	Q7YTF7_PLAF7	Plasmodium falciparum	4	0.7070
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	3	0.7052
Cyclin-dependent kinase 2	P24941	CDK2_HUMAN	Homo sapiens	3	0.7052
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	3	0.7044
Steroid Delta-isomerase	P07445	SDIS_PSEPU	Pseudomonas putida	3	0.7044
Raucaffricine-O-beta-D-glucosidase	Q9SPP9	RG1_RAUSE	Rauvolfia serpentina	3	0.7039
Raucaffricine-O-beta-D-glucosidase	Q9SPP9	RG1_RAUSE	Rauvolfia serpentina	3	0.7039
Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic	Q43088	RBCMT_PEA	Pisum sativum	3	0.7036
Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic	Q43088	RBCMT_PEA	Pisum sativum	3	0.7036
Nitroreductase domain-containing protein	Q8DW21	Q8DW21_STRMU	Streptococcus mutans serotype c	3	0.7029
Nitroreductase domain-containing protein	Q8DW21	Q8DW21_STRMU	Streptococcus mutans serotype c	3	0.7029
Cyclin-dependent kinase 5	Q00535	CDK5_HUMAN	Homo sapiens	4	0.7026
Cyclin-dependent kinase 5	Q00535	CDK5_HUMAN	Homo sapiens	4	0.7026
Lethal(3)malignant brain tumor-like protein 1	Q9Y468	LMBL1_HUMAN	Homo sapiens	3	0.7025
Lethal(3)malignant brain tumor-like protein 1	Q9Y468	LMBL1_HUMAN	Homo sapiens	3	0.7025
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	3	0.7022
Bromodomain-containing protein 4	O60885	BRD4_HUMAN	Homo sapiens	3	0.7022
Neuropilin-1	O14786	NRP1_HUMAN	Homo sapiens	3	0.7006
Neuropilin-1	O14786	NRP1_HUMAN	Homo sapiens	3	0.7006

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