QuartataWeb 1.0

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB03128

No. Group Type Drug ID Drug Name SMILES
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1 Approved SmallMoleculeDrug DB03128 Acetylcholine
CC(=O)OCC[N+](C)(C)C

6 known interactions (targets) of input drug (DB03128): Acetylcholine

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	ACHE	P22303	Acetylcholinesterase	hsa00564; hsa04725	1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE
2	CHRM3	P20309	Muscarinic acetylcholine receptor M3	hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972	2CSA
3	CHRM4	P08173	Muscarinic acetylcholine receptor M4	hsa04080; hsa04725; hsa04810	NA
4	CHRM1	P11229	Muscarinic acetylcholine receptor M1	hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810	NA
5	CHRNA7	P36544	Neuronal acetylcholine receptor subunit alpha-7	NA	2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN
6	CHRM2	P08172	Muscarinic acetylcholine receptor M2	hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810	1LUB; 3UON; 4MQS; 4MQT

20 predicted interactions (targets) of input drug (DB03128): Acetylcholine

No.	Gene	UniProt ID	Protein Name	Pathway	PDB	Confidence score
1	CHRM5	P08912	Muscarinic acetylcholine receptor M5	hsa04020; hsa04080; hsa04725; hsa04810	NA	82.8%
2	CHRNA4	P43681	Neuronal acetylcholine receptor subunit alpha-4	hsa04080; hsa04725; hsa05033	2GVT; 2LLY	58.2%
3	HTR3A	P46098	5-hydroxytryptamine receptor 3A	hsa04726; hsa04742	NA	55.0%
4	CHRNA2	Q15822	Neuronal acetylcholine receptor subunit alpha-2	hsa04080	NA	52.5%
5	SLC6A4	P31645	Sodium-dependent serotonin transporter	hsa04726	NA	48.9%
6	SLC6A2	P23975	Sodium-dependent noradrenaline transporter	NA	NA	46.7%
7	HTR2A	P28223	5-hydroxytryptamine receptor 2A	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	NA	46.5%
8	HTR2C	P28335	5-hydroxytryptamine receptor 2C	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	NA	44.6%
9	HTR2B	P41595	5-hydroxytryptamine receptor 2B	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	4IB4; 4NC3	43.3%
10	HRH1	P35367	Histamine H1 receptor	hsa04020; hsa04080; hsa04750	3RZE	43.3%
11	SLC6A3	Q01959	Sodium-dependent dopamine transporter	hsa04728; hsa05012; hsa05030; hsa05031; hsa05034	NA	42.2%
12	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	41.3%
13	DRD2	P14416	D(2) dopamine receptor	hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034	1I15; 5AER	39.8%
14	CHRNB2	P17787	Neuronal acetylcholine receptor subunit beta-2	hsa04080; hsa04725; hsa05033	2GVT; 2K58; 2K59; 2KSR; 2LM2	39.5%
15	DRD1	P21728	D(1A) dopamine receptor	hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034	1OZ5	39.2%
16	CHRNA3	P32297	Neuronal acetylcholine receptor subunit alpha-3	hsa04080; hsa04725	4ZK4	38.8%
17	DRD5	P21918	D(1B) dopamine receptor	hsa04020; hsa04024; hsa04080; hsa04728	NA	38.1%
18	DRD4	P21917	D(4) dopamine receptor	hsa04080; hsa04728	NA	37.7%
19	HTR6	P50406	5-hydroxytryptamine receptor 6	hsa04020; hsa04024; hsa04080; hsa04726	NA	36.7%
20	HTR7	P34969	5-hydroxytryptamine receptor 7	hsa04014; hsa04020; hsa04080; hsa04726	NA	35.1%