QuartataWeb 1.0

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB00589

No. Group Type Drug ID Drug Name SMILES
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1 Approved;
Investigational SmallMoleculeDrug DB00589 Lisuride
[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC

15 known interactions (targets) of input drug (DB00589): Lisuride

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	DRD5	P21918	D(1B) dopamine receptor	hsa04020; hsa04024; hsa04080; hsa04728	NA
2	ADRA2C	P18825	Alpha-2C adrenergic receptor	hsa04022; hsa04080	NA
3	HTR1D	P28221	5-hydroxytryptamine receptor 1D	hsa04024; hsa04080; hsa04726; hsa04742	NA
4	ADRA2B	P18089	Alpha-2B adrenergic receptor	hsa04022; hsa04080	2CVA
5	HTR2C	P28335	5-hydroxytryptamine receptor 2C	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	NA
6	DRD2	P14416	D(2) dopamine receptor	hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034	1I15; 5AER
7	DRD3	P35462	D(3) dopamine receptor	hsa04080; hsa04728	3PBL
8	DRD1	P21728	D(1A) dopamine receptor	hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034	1OZ5
9	HTR2A	P28223	5-hydroxytryptamine receptor 2A	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	NA
10	DRD4	P21917	D(4) dopamine receptor	hsa04080; hsa04728	NA
11	HTR2B	P41595	5-hydroxytryptamine receptor 2B	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	4IB4; 4NC3
12	HTR1B	P28222	5-hydroxytryptamine receptor 1B	hsa04024; hsa04080; hsa04726; hsa04742	2G1X; 4IAQ; 4IAR
13	HTR1A	P08908	5-hydroxytryptamine receptor 1A	hsa04024; hsa04080; hsa04726; hsa04742	NA
14	HTR7	P34969	5-hydroxytryptamine receptor 7	hsa04014; hsa04020; hsa04080; hsa04726	NA
15	ADRA2A	P08913	Alpha-2A adrenergic receptor	hsa04022; hsa04080	1HLL; 1HO9; 1HOD; 1HOF

20 predicted interactions (targets) of input drug (DB00589): Lisuride

No.	Gene	UniProt ID	Protein Name	Pathway	PDB	Confidence score
1	ADRA1A	P35348	Alpha-1A adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970	NA	82.4%
2	ADRA1B	P35368	Alpha-1B adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970	NA	81.0%
3	ADRA1D	P25100	Alpha-1D adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970	NA	80.2%
4	HTR1E	P28566	5-hydroxytryptamine receptor 1E	hsa04024; hsa04080; hsa04726; hsa04742	NA	78.2%
5	HTR6	P50406	5-hydroxytryptamine receptor 6	hsa04020; hsa04024; hsa04080; hsa04726	NA	75.7%
6	HRH1	P35367	Histamine H1 receptor	hsa04020; hsa04080; hsa04750	3RZE	70.4%
7	HTR1F	P30939	5-hydroxytryptamine receptor 1F	hsa04024; hsa04080; hsa04726; hsa04742	NA	68.6%
8	HTR3A	P46098	5-hydroxytryptamine receptor 3A	hsa04726; hsa04742	NA	66.9%
9	ADRB1	P08588	Beta-1 adrenergic receptor	hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414	2LSQ	60.9%
10	ADRB2	P07550	Beta-2 adrenergic receptor	hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04923; hsa04924; hsa04970	1GQ4; 2R4R; 2R4S; 2RH1; 3D4S; 3KJ6; 3NY8; 3NY9; 3NYA; 3P0G; 3PDS; 3SN6; 4GBR; 4LDE; 4LDL; 4LDO; 4QKX	58.0%
11	ADRB3	P13945	Beta-3 adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970	2CDW	57.2%
12	HRH4	Q9H3N8	Histamine H4 receptor	hsa04080	NA	55.8%
13	CHRM1	P11229	Muscarinic acetylcholine receptor M1	hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810	NA	55.5%
14	HTR4	Q13639	5-hydroxytryptamine receptor 4	hsa04020; hsa04024; hsa04080; hsa04726	NA	55.3%
15	CHRM4	P08173	Muscarinic acetylcholine receptor M4	hsa04080; hsa04725; hsa04810	NA	53.4%
16	SLC6A2	P23975	Sodium-dependent noradrenaline transporter	NA	NA	52.5%
17	CHRM3	P20309	Muscarinic acetylcholine receptor M3	hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972	2CSA	52.2%
18	SLC6A4	P31645	Sodium-dependent serotonin transporter	hsa04726	NA	52.2%
19	CHRM5	P08912	Muscarinic acetylcholine receptor M5	hsa04020; hsa04080; hsa04725; hsa04810	NA	52.0%
20	HTR3B	O95264	5-hydroxytryptamine receptor 3B	hsa04726; hsa04742	NA	51.7%