QuartataWeb 1.0

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB00981

No. Group Type Drug ID Drug Name SMILES
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1 Approved;
Investigational SmallMoleculeDrug DB00981 Physostigmine
[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C

3 known interactions (targets) of input drug (DB00981): Physostigmine

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	CHRNA4	P43681	Neuronal acetylcholine receptor subunit alpha-4	hsa04080; hsa04725; hsa05033	2GVT; 2LLY
2	ACHE	P22303	Acetylcholinesterase	hsa00564; hsa04725	1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE
3	CHRNB2	P17787	Neuronal acetylcholine receptor subunit beta-2	hsa04080; hsa04725; hsa05033	2GVT; 2K58; 2K59; 2KSR; 2LM2

20 predicted interactions (targets) of input drug (DB00981): Physostigmine

No.	Gene	UniProt ID	Protein Name	Pathway	PDB	Confidence score
1	CHRNA7	P36544	Neuronal acetylcholine receptor subunit alpha-7	NA	2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN	62.8%
2	CHRNA2	Q15822	Neuronal acetylcholine receptor subunit alpha-2	hsa04080	NA	52.8%
3	CHRNA6	Q15825	Neuronal acetylcholine receptor subunit alpha-6	hsa04080; hsa04725; hsa05033	NA	38.4%
4	CHRNA3	P32297	Neuronal acetylcholine receptor subunit alpha-3	hsa04080; hsa04725	4ZK4	38.1%
5	BCHE	P06276	Cholinesterase	NA	1EHO; 1EHQ; 1KCJ; 1P0I; 1P0M; 1P0P; 1P0Q; 1XLU; 1XLV; 1XLW; 2J4C; 2PM8; 2WID; 2WIF; 2WIG; 2WIJ; 2WIK; 2WIL; 2WSL; 2XMB; 2XMC; 2XMD; 2XMG; 2XQF; 2XQG; 2XQI; 2XQJ; 2XQK; 2Y1K; 3DJY; 3DKK; 3O9M; 4AQD; 4AXB; 4B0O; 4B0P; 4BBZ; 4BDS; 4TPK; 4XII	32.8%
6	GABRA4	P48169	Gamma-aminobutyric acid receptor subunit alpha-4	hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033	NA	31.4%
7	GABRA6	Q16445	Gamma-aminobutyric acid receptor subunit alpha-6	hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033	NA	31.3%
8	GABRG3	Q99928	Gamma-aminobutyric acid receptor subunit gamma-3	hsa04080; hsa04723; hsa04727; hsa05032; hsa05033	NA	30.2%
9	GABRA2	P47869	Gamma-aminobutyric acid receptor subunit alpha-2	hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033	NA	30.1%
10	GABRB2	P47870	Gamma-aminobutyric acid receptor subunit beta-2	hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033	NA	29.9%
11	GABRE	P78334	Gamma-aminobutyric acid receptor subunit epsilon	hsa04080; hsa04723; hsa04727; hsa05032; hsa05033	NA	29.8%
12	GABRP	O00591	Gamma-aminobutyric acid receptor subunit pi	hsa04080; hsa04723; hsa04727; hsa05032; hsa05033	NA	29.8%
13	GABRB1	P18505	Gamma-aminobutyric acid receptor subunit beta-1	hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033	NA	29.8%
14	GABRB3	P28472	Gamma-aminobutyric acid receptor subunit beta-3	hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033	4COF	29.7%
15	GRIK2	Q13002	Glutamate receptor ionotropic, kainate 2	hsa04080; hsa04724	3QXM	29.5%
16	GABRQ	Q9UN88	Gamma-aminobutyric acid receptor subunit theta	hsa04080; hsa04723; hsa04727; hsa05032; hsa05033	NA	28.6%
17	KCNA1	Q09470	Potassium voltage-gated channel subfamily A member 1	NA	2AFL	28.3%
18	GRIN3A	Q8TCU5	Glutamate receptor ionotropic, NMDA 3A	hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034	NA	28.3%
19	GABRG2	P18507	Gamma-aminobutyric acid receptor subunit gamma-2	hsa04080; hsa04723; hsa04727; hsa05032; hsa05033	NA	28.0%
20	GABRA3	P34903	Gamma-aminobutyric acid receptor subunit alpha-3	hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033	NA	27.8%