QuartataWeb 1.0

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB09300

No. Group Type Drug ID Drug Name SMILES
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1 Approved;
Investigational;
Vet approved SmallMoleculeDrug DB09300 Butylscopolamine
CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1

2 known interactions (targets) of input drug (DB09300): Butylscopolamine

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	CHRM3	P20309	Muscarinic acetylcholine receptor M3	hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972	2CSA
2	CHRM2	P08172	Muscarinic acetylcholine receptor M2	hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810	1LUB; 3UON; 4MQS; 4MQT

20 predicted interactions (targets) of input drug (DB09300): Butylscopolamine

No.	Gene	UniProt ID	Protein Name	Pathway	PDB	Confidence score
1	CHRM1	P11229	Muscarinic acetylcholine receptor M1	hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810	NA	78.8%
2	CHRM4	P08173	Muscarinic acetylcholine receptor M4	hsa04080; hsa04725; hsa04810	NA	78.4%
3	CHRM5	P08912	Muscarinic acetylcholine receptor M5	hsa04020; hsa04080; hsa04725; hsa04810	NA	70.4%
4	HRH1	P35367	Histamine H1 receptor	hsa04020; hsa04080; hsa04750	3RZE	51.8%
5	SLC6A4	P31645	Sodium-dependent serotonin transporter	hsa04726	NA	44.2%
6	SLC6A2	P23975	Sodium-dependent noradrenaline transporter	NA	NA	42.6%
7	HTR2C	P28335	5-hydroxytryptamine receptor 2C	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	NA	40.6%
8	HTR2A	P28223	5-hydroxytryptamine receptor 2A	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	NA	40.2%
9	DRD2	P14416	D(2) dopamine receptor	hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034	1I15; 5AER	36.3%
10	SLC6A3	Q01959	Sodium-dependent dopamine transporter	hsa04728; hsa05012; hsa05030; hsa05031; hsa05034	NA	35.7%
11	HTR7	P34969	5-hydroxytryptamine receptor 7	hsa04014; hsa04020; hsa04080; hsa04726	NA	33.6%
12	DRD1	P21728	D(1A) dopamine receptor	hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034	1OZ5	33.1%
13	ADRA1D	P25100	Alpha-1D adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970	NA	32.7%
14	HTR1A	P08908	5-hydroxytryptamine receptor 1A	hsa04024; hsa04080; hsa04726; hsa04742	NA	32.7%
15	ADRA1B	P35368	Alpha-1B adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970	NA	32.2%
16	HTR2B	P41595	5-hydroxytryptamine receptor 2B	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	4IB4; 4NC3	31.1%
17	HTR3A	P46098	5-hydroxytryptamine receptor 3A	hsa04726; hsa04742	NA	30.8%
18	ADRA1A	P35348	Alpha-1A adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970	NA	30.1%
19	ADRA2C	P18825	Alpha-2C adrenergic receptor	hsa04022; hsa04080	NA	30.1%
20	CHRNA2	Q15822	Neuronal acetylcholine receptor subunit alpha-2	hsa04080	NA	29.4%