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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB00756
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Withdrawn		 SmallMoleculeDrug DB00756 Hexachlorophene Thumb


3 known interactions (targets) of input drug (DB00756): Hexachlorophene
No. Gene UniProt ID Protein Name Pathway PDB
1 GLUD1 P00367 Glutamate dehydrogenase 1, mitochondrial hsa00220; hsa00250; hsa00471; hsa00910; hsa01100; hsa01200; hsa04217; hsa04964 1L1F; 1NR1
2 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224
3 SDHD O14521 Succinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrial hsa00020; hsa00190; hsa01100; hsa01200; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA


20 predicted interactions (targets) of input drug (DB00756): Hexachlorophene
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 42.8%
2 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 37.6%
3 PYGM P11217 Glycogen phosphorylase, muscle form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1Z8D 29.2%
4 SDHC Q99643 Succinate dehydrogenase cytochrome b560 subunit, mitochondrial hsa00020; hsa00190; hsa01100; hsa01200; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA 27.7%
5 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 26.7%
6 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 24.4%
7 AKR1B1 P15121 Aldose reductase hsa00040; hsa00051; hsa00052; hsa00561; hsa00790; hsa01100
1ABN; 1ADS; 1AZ1; 1AZ2; 1EF3; 1EL3; 1IEI; 1MAR; 1PWL; 1PWM; 1T40; 1T41; 1US0; 1X96; 1X97; 1X98; 1XGD; 1Z3N; 1Z89; 1Z8A; 2ACQ; 2ACR; 2ACS; 2ACU; 2AGT; 2DUX; 2DUZ; 2DV0; 2F2K; 2FZ8; 2FZ9; 2FZB; 2FZD; 2HV5; 2HVN; 2HVO; 2I16; 2I17; 2IKG; 2IKH; 2IKI; 2IKJ; 2INE; 2INZ; 2IPW; 2IQ0; 2IQD; 2IS7; 2ISF; 2J8T; 2NVC; 2NVD; 2PD5; 2PD9; 2PDB; 2PDC; 2PDF; 2PDG; 2PDH; 2PDI; 2PDJ; 2PDK; 2PDL; 2PDM; 2PDN; 2PDP; 2PDQ; 2PDU; 2PDW; 2PDX; 2PDY; 2PEV; 2PF8; 2PFH; 2PZN; 2QXW; 2R24; 3BCJ; 3DN5; 3G5E; 3GHR; 3GHS; 3GHT; 3GHU; 3LBO; 3LD5; 3LEN; 3LEP; 3LQG; 3LQL; 3LZ3; 3LZ5; 3M0I; 3M4H; 3M64; 3MB9; 3MC5; 3ONB; 3ONC; 3P2V; 3Q65; 3Q67; 3RX2; 3RX3; 3RX4; 3S3G; 3T42; 3U2C; 3V35; 3V36; 4GCA; 4GQ0; 4IGS; 4JIR; 4LAU; 4LAZ; 4LB3; 4LB4; 4LBR; 4LBS; 4NKC; 4PR4; 4PRR; 4PRT; 4PUU; 4PUW; 4Q7B; 4QBX; 4QR6; 4QX4; 4QXI; 4RPQ; 4XZH; 4XZI
 22.0%
8 SDHB P21912 Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial hsa00020; hsa00190; hsa01100; hsa01200; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA 21.7%
9 ACTA1 P68133 Actin, alpha skeletal muscle NA 1T44 20.8%
10 TAT P17735 Tyrosine aminotransferase hsa00130; hsa00270; hsa00350; hsa00360; hsa00400; hsa01100; hsa01230 3DYD 20.4%
11 GRIN2B Q13224 Glutamate receptor ionotropic, NMDA 2B hsa04014; hsa04015; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa04728; hsa05010; hsa05014; hsa05016; hsa05030; hsa05031; hsa05033; hsa05034; hsa05322 1S11; 1S2S; 2IPV 20.4%
12 GNRHR P30968 Gonadotropin-releasing hormone receptor hsa04080; hsa04912 NA 20.1%
13 AGTR1 P30556 Type-1 angiotensin II receptor hsa04020; hsa04022; hsa04072; hsa04080; hsa04261; hsa04270; hsa04371; hsa04614; hsa04924; hsa04925; hsa04927; hsa04933; hsa04934; hsa05200 1ZV0; 4YAY; 4ZUD 20.1%
14 GRIN2D O15399 Glutamate receptor ionotropic, NMDA 2D hsa04020; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa05010; hsa05014; hsa05030; hsa05031; hsa05033; hsa05034 NA 18.9%
15 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 18.7%
16 HSD17B1 P14061 Estradiol 17-beta-dehydrogenase 1 hsa00140; hsa01100; hsa04913 18.6%
17 SDHA P31040 Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial hsa00020; hsa00190; hsa01100; hsa01200; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA 18.6%
18 NQO2 P16083 Ribosyldihydronicotinamide dehydrogenase [quinone] NA 18.4%
19 GRIN2A Q12879 Glutamate receptor ionotropic, NMDA 2A hsa04014; hsa04015; hsa04020; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa04728; hsa05010; hsa05014; hsa05030; hsa05031; hsa05033; hsa05034; hsa05322 3NFL 18.3%
20 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 17.5%


  logl

Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.