Drug Repurposing Data Package

This package has 13 modules. The Drug-Protein Relationships and Drug Targets Module has 4 tables. Preview the first five rows of each table or Explore the schema

Drug-Protein Relationships and Drug Targets Module

4 Tables

Describes the relationship between drugs and targets, enzymes, carriers, or transporters. Annotation includes the pharmacological action, and the type of interaction (antagonist, agonist, substrate, inhibitor, or inducer).

Bio-Entities

Describes proteins or other biological entities that interact with a drug (as drug targets, metabolizing enzymes, or drug carriers/transporters).

biodb_id
name
kind
organism
drug_targets
BE0000001
Peptidoglycan D,D-transpeptidase FtsI
protein
Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
0
BE0000002
Histidine decarboxylase
protein
Humans
0
BE0000003
Glutaminase liver isoform, mitochondrial
protein
Humans
0
BE0000004
Coagulation factor XIII A chain
protein
Humans
0
BE0000005
Nitric oxide synthase, inducible
protein
Humans
0
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Bio-Entity Components

A list of specific components of each bio-entity.

biodb_id
component_type
component_id
BE0000001
Polypeptide
P45059
BE0000002
Polypeptide
P19113
BE0000003
Polypeptide
Q9UI32
BE0000004
Polypeptide
P00488
BE0000005
Polypeptide
P35228
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Bonds

Describes the binding relationship between drugs and targets/enzymes/carriers/transporters.

id
type
drug_id
biodb_id
pdb_id
position
pharmacological_action
antagonist
agonist
substrate
inhibitor
inducer
other_action
inducer_strength
inhibitor_strength
induction_clinically_sig
inhibition_clinically_sig
1
TargetBond
1
BE0000048
1
yes
0
0
0
1
0
unknown
0
0
2
TargetBond
2
BE0000767
1
yes
0
0
0
0
0
binder
0
0
3
TargetBond
4
BE0000658
1
yes
0
0
0
0
0
ligand
0
0
4
TargetBond
5
BE0000704
1
yes
0
0
0
1
0
antibody
unknown
0
0
5
TargetBond
6
BE0000048
1
yes
0
0
0
1
0
unknown
0
0
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Polypeptides

A description of identified polypeptide targets, enzymes, carriers, or transporters.

uniprot_id
name
uniprot_name
gene_name
organism_id
molecular_weight
theoretical_pi
general_function
specific_function
signal_regions
transmembrane_regions
pdb_ids
genbank_gene_id
genbank_protein_id
genecard_id
locus
genatlas_id
hgnc_id
meta_cyc_id
ncbi_sequence_ids
tissue_specificity
cofactor
subunit
cellular_location
amino_acid_sequence
gene_sequence
A0A023W3H0
OXA-48 carbapenemase
A0A023W3H0_KLEPN
OXA-48
144
16920.07
penicillin binding
>lcl|BSEQ0022471|Class D OXA-48 carbapenemase VVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDY GNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYI IRAKTGYSTRIEPKIGWWVGWVELD
A0A024R1R8
Translation machinery-associated protein 7B
TMA7B_HUMAN
TMA7B
154
7091.405
TMA7B
22q13.1
HGNC:53893
>lcl|BSEQ0069905|Translation machinery-associated protein 7B MSSHEGGKKKALKQPKKQAKEMDEEEKAFKQKQKEEQKKLEVLKAKVVGKGPLATGGIKK SGKK
A0A024RBG1
Diphosphoinositol polyphosphate phosphohydrolase NUDT4B
NUD4B_HUMAN
NUDT4B
154
20434.03
Cleaves a beta-phosphate from the diphosphate groups in PP-InsP5 (diphosphoinositol pentakisphosphate), PP-InsP4 and [PP]2-InsP4 (bisdiphosphoinositol tetrakisphosphate), suggesting that it may play a role in signal transduction. Also able to catalyze the hydrolysis of dinucleoside oligophosphate Ap6A, but not Ap5A. The major reaction products are ADP and p4a from Ap6A. Also able to hydrolyze 5-phosphoribose 1-diphosphate. Does not play a role in U8 snoRNA decapping activity. Binds U8 snoRNA
bis(5'-adenosyl)-hexaphosphatase activity
NUDT4B
1q21.2
HGNC:18012
Cytoplasm
>lcl|BSEQ0064393|Diphosphoinositol polyphosphate phosphohydrolase NUDT4B MMKFKPNQTRTYDREGFKKRAACLCFRSEQEDEVLLVSSSRYPDQWIVPGGGMEPEEEPG GAAVREVYEEAGVKGKLGRLLGIFEQNQDRKHRTYVYVLTVTEILEDWEDSVNIGRKREW FKVEDAIKVLQCHKPVHAEYLEKLKLGCSPANGNSTVPSLPDNNALFVTAAQTSGLPSSV R
A0A059JJ46
ABC multidrug transporter MDR2
MDR2_TRIIM
MDR2
1913
145278.17
Pleiotropic ABC efflux transporter that may be involved in the modulation susceptibility to a wide range of unrelated cytotoxic compounds, including terbinafine, 4-nitroquinoline N-oxide, and ethidium bromide (PubMed:16849730). May play a role in pathogenicity (PubMed:19141731).
ABC-type transporter activity
93-113 147-167 219-239 242-262 325-345 358-378 762-782 810-830 884-904 910-930 995-1015 1025-1045
Cell membrane
>lcl|BSEQ0052180|ABC multidrug transporter MDR2 MVEVSEKPNTQDDGVSKQENRNPASSSSSTSDKEKVAKKGNSDATKSSTPEDLDAQLAHL PEHEREILKQQLFIPDAKATYGTLFRYATRNDMIFLAIVSLASIAAGAALPLFTVLFGSL AGTFRDIALHRITYDEFNSILTRNSLYFVYLGIAQFILLYVSTVGFIYVGEHITQKIRAK YLHAILRQNIGFFDKLGAGEVTTRITADTNLIQDGISEKVGLTLTALSTFFSAFIIGYVR YWKLALICSSTIVAMILVMGGISRFVVKSGRMTLVSYGEGGTVAEEVISSIRNATAFGTQ EKLARQYEVHLKEARKWGRRLQMMLGIMFGSMMAIMYSNYGLGFWMGSRFLVGGETDLSA IVNILLAIVIGSFSIGNVAPNTQAFASAISAGAKIFSTIDRVSAIDPGSDEGDTIENVEG TIEFRGIKHIYPSRPEVVVMEDINLVVPKGKTTALVGPSGSGKSTVVGLLERFYNPVSGS VLLDGRDIKTLNLRWLRQQISLVSQEPTLFGTTIFENIRLGLIGSPMENESEEQIKERIV SAAKEANAHDFIMGLPDGYATDVGQRGFLLSGGQKQRIAIARAIVSDPKILLLDEATSAL DTKSEGVVQAALDAASRGRTTIVIAHRLSTIKSADNIVVIVGGRIAEQGTHDELVDKKGT YLQLVEAQKINEERGEESEDEAVLEKEKEISRQISVPAKSVNSGKYPDEDVEANLGRIDT KKSLSSVILSQKRSQEKETEYSLGTLIRFIAGFNKPERLIMLCGFFFAVLSGAGQPVQSV FFAKGITTLSLPPSLYGKLREDANFWSLMFLMLGLVQLVTQSAQGVIFAICSESLIYRAR SKSFRAMLRQDIAFFDLPENSTGALTSFLSTETKHLSGVSGATLGTILMVSTTLIVALTV ALAFGWKLALVCISTVPVLLLCGFYRFWILAQFQTRAKKAYESSASYACEATSSIRTVAS LTREQGVMEIYEGQLNDQAKKSLRSVAKSSLLYAASQSFSFFCLALGFWYGGGLLGKGEY NAFQFFLCISCVIFGSQSAGIVFSFSPDMGKAKSAAADFKRLFDRVPTIDIESPDGEKLE TVEGTIEFRDVHFRYPTRPEQPVLRGLNLTVKPGQYIALVGPSGCGKSTTIALVERFYDT LSGGVYIDGKDISRLNVNSYRSHLALVSQEPTLYQGTIRDNVLLGVDRDDVPDEQVFAAC KAANIYDFIMSLPDGFGTVVGSKGSMLSGGQKQRIAIARALIRDPKVLLLDEATSALDSE SEKVVQAALDAAAKGRTTIAVAHRLSTIQKADIIYVFDQGRIVESGTHHELLQNKGRYYE LVHMQSLEKTQ
A0A068JFB7
Beta-lactamase SHV
A0A068JFB7_ECOLX
blaSHV
90
14354.285
beta-lactamase activity
>lcl|BSEQ0052113|Beta-lactamase GLTAFLRQIGDNVTRLDRWETELNEALPGDARDTTTPASMAATLRKLLTSQRLSARSQRQ LLQWMVDDRVAGPLIRSVLPAGWFIADKTGASKRGARGIVALLGPNNKAERIVVIYLRDT PASMAERNQQ
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Showing 4 of 4 tables