QuartataWeb 1.0

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB00907

No. Group Type Drug ID Drug Name SMILES
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1 Approved;
Illicit SmallMoleculeDrug DB00907 Cocaine
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C

10 known interactions (targets) of input drug (DB00907): Cocaine

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	SCN5A	Q14524	Sodium channel protein type 5 subunit alpha	hsa04261	2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN
2	SIGMAR1	Q99720	Sigma non-opioid intracellular receptor 1	NA	NA
3	CHRM1	P11229	Muscarinic acetylcholine receptor M1	hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810	NA
4	SLC6A3	Q01959	Sodium-dependent dopamine transporter	hsa04728; hsa05012; hsa05030; hsa05031; hsa05034	4XPB; 4XP4;
5	SCN10A	Q9Y5Y9	Sodium channel protein type 10 subunit alpha	NA	NA
6	SLC6A2	P23975	Sodium-dependent noradrenaline transporter	NA	4XP4; 4XPB;
7	SCN11A	Q9UI33	Sodium channel protein type 11 subunit alpha	NA	NA
8	CHRM2	P08172	Muscarinic acetylcholine receptor M2	hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810	1LUB; 3UON; 4MQS; 4MQT
9	CES1	P23141	Liver carboxylesterase 1	hsa00983; hsa01100	1MX1; 1MX5; 1MX9; 1YA4; 1YA8; 1YAH; 1YAJ; 2DQY; 2DQZ; 2DR0; 2H7C; 2HRQ; 2HRR; 3K9B; 4AB1
10	SLC6A4	P31645	Sodium-dependent serotonin transporter	hsa04726	4XP4; 4XPB;

20 predicted interactions (targets) of input drug (DB00907): Cocaine

No.	Gene	UniProt ID	Protein Name	Pathway	PDB	Confidence score
1	CHRM3	P20309	Muscarinic acetylcholine receptor M3	hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972	2CSA	85.2%
2	CHRM4	P08173	Muscarinic acetylcholine receptor M4	hsa04080; hsa04725; hsa04810	NA	79.3%
3	CHRM5	P08912	Muscarinic acetylcholine receptor M5	hsa04020; hsa04080; hsa04725; hsa04810	NA	79.0%
4	HTR3A	P46098	5-hydroxytryptamine receptor 3A	hsa04726; hsa04742	NA	64.1%
5	KCNH2	Q12809	Potassium voltage-gated channel subfamily H member 2	NA	1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA	63.5%
6	HRH1	P35367	Histamine H1 receptor	hsa04020; hsa04080; hsa04750	3RZE	60.3%
7	HTR2A	P28223	5-hydroxytryptamine receptor 2A	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	NA	59.7%
8	DRD2	P14416	D(2) dopamine receptor	hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034	1I15; 5AER	57.6%
9	DRD1	P21728	D(1A) dopamine receptor	hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034	1OZ5	56.4%
10	DRD4	P21917	D(4) dopamine receptor	hsa04080; hsa04728	NA	54.1%
11	HTR2C	P28335	5-hydroxytryptamine receptor 2C	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	NA	51.6%
12	ADRA1B	P35368	Alpha-1B adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970	NA	51.5%
13	ADRA1A	P35348	Alpha-1A adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970	NA	51.4%
14	ADRA1D	P25100	Alpha-1D adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970	NA	51.0%
15	HTR2B	P41595	5-hydroxytryptamine receptor 2B	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	4IB4; 4NC3	49.7%
16	HTR6	P50406	5-hydroxytryptamine receptor 6	hsa04020; hsa04024; hsa04080; hsa04726	NA	49.4%
17	ADRA2A	P08913	Alpha-2A adrenergic receptor	hsa04022; hsa04080	1HLL; 1HO9; 1HOD; 1HOF	48.8%
18	HTR1A	P08908	5-hydroxytryptamine receptor 1A	hsa04024; hsa04080; hsa04726; hsa04742	NA	47.7%
19	DRD3	P35462	D(3) dopamine receptor	hsa04080; hsa04728	3PBL	47.6%
20	MAOA	P21397	Amine oxidase [flavin-containing] A	hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034	1H8Q; 2BXR; 2BXS; 2Z5X; 2Z5Y	47.3%