QuartataWeb 1.0

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB08815

No. Group Type Drug ID Drug Name SMILES
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1 Approved;
Investigational SmallMoleculeDrug DB08815 Lurasidone
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(CC1)C1=NSC2=CC=CC=C12

6 known interactions (targets) of input drug (DB08815): Lurasidone

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	ADRA2C	P18825	Alpha-2C adrenergic receptor	hsa04022; hsa04080	NA
2	DRD2	P14416	D(2) dopamine receptor	hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034	1I15; 5AER
3	HTR7	P34969	5-hydroxytryptamine receptor 7	hsa04014; hsa04020; hsa04080; hsa04726	NA
4	HTR1A	P08908	5-hydroxytryptamine receptor 1A	hsa04024; hsa04080; hsa04726; hsa04742	NA
5	HTR2A	P28223	5-hydroxytryptamine receptor 2A	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	NA
6	ADRA2A	P08913	Alpha-2A adrenergic receptor	hsa04022; hsa04080	1HLL; 1HO9; 1HOD; 1HOF

20 predicted interactions (targets) of input drug (DB08815): Lurasidone

No.	Gene	UniProt ID	Protein Name	Pathway	PDB	Confidence score
1	ADRA2B	P18089	Alpha-2B adrenergic receptor	hsa04022; hsa04080	2CVA	91.7%
2	DRD3	P35462	D(3) dopamine receptor	hsa04080; hsa04728	3PBL	86.7%
3	DRD1	P21728	D(1A) dopamine receptor	hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034	1OZ5	83.4%
4	HTR2B	P41595	5-hydroxytryptamine receptor 2B	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	4IB4; 4NC3	83.1%
5	HTR2C	P28335	5-hydroxytryptamine receptor 2C	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	NA	80.1%
6	ADRA1B	P35368	Alpha-1B adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970	NA	80.0%
7	ADRA1A	P35348	Alpha-1A adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970	NA	79.6%
8	ADRA1D	P25100	Alpha-1D adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970	NA	79.3%
9	DRD5	P21918	D(1B) dopamine receptor	hsa04020; hsa04024; hsa04080; hsa04728	NA	79.2%
10	DRD4	P21917	D(4) dopamine receptor	hsa04080; hsa04728	NA	77.7%
11	HTR1B	P28222	5-hydroxytryptamine receptor 1B	hsa04024; hsa04080; hsa04726; hsa04742	2G1X; 4IAQ; 4IAR	73.4%
12	HTR1D	P28221	5-hydroxytryptamine receptor 1D	hsa04024; hsa04080; hsa04726; hsa04742	NA	72.9%
13	HRH1	P35367	Histamine H1 receptor	hsa04020; hsa04080; hsa04750	3RZE	72.7%
14	HTR6	P50406	5-hydroxytryptamine receptor 6	hsa04020; hsa04024; hsa04080; hsa04726	NA	71.7%
15	HTR1E	P28566	5-hydroxytryptamine receptor 1E	hsa04024; hsa04080; hsa04726; hsa04742	NA	67.5%
16	ADRB1	P08588	Beta-1 adrenergic receptor	hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414	2LSQ	60.3%
17	HTR1F	P30939	5-hydroxytryptamine receptor 1F	hsa04024; hsa04080; hsa04726; hsa04742	NA	59.1%
18	ADRB3	P13945	Beta-3 adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970	2CDW	59.0%
19	SLC6A4	P31645	Sodium-dependent serotonin transporter	hsa04726	NA	58.6%
20	HTR3A	P46098	5-hydroxytryptamine receptor 3A	hsa04726; hsa04742	NA	58.5%