QuartataWeb 1.0

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB00863

No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter Image

1 Approved SmallMoleculeDrug DB00863 Ranitidine
CN\C(NCCSCC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O

3 known interactions (targets) of input drug (DB00863): Ranitidine

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	HRH2	P25021	Histamine H2 receptor	hsa04020; hsa04080; hsa04971	NA
2	ACHE	P22303	Acetylcholinesterase	hsa00564; hsa04725	1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE
3	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

20 predicted interactions (targets) of input drug (DB00863): Ranitidine

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	32.7%
2	HTR2A	P28223	5-hydroxytryptamine receptor 2A	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	NA	26.4%
3	SLC6A4	P31645	Sodium-dependent serotonin transporter	hsa04726	NA	24.9%
4	CHRNA2	Q15822	Neuronal acetylcholine receptor subunit alpha-2	hsa04080	NA	24.5%
5	SLC18A2	Q05940	Synaptic vesicular amine transporter	hsa04721; hsa04726; hsa04728; hsa05012; hsa05030; hsa05031; hsa05034	NA	23.9%
6	ADRA2A	P08913	Alpha-2A adrenergic receptor	hsa04022; hsa04080	1HLL; 1HO9; 1HOD; 1HOF	23.6%
7	HRH1	P35367	Histamine H1 receptor	hsa04020; hsa04080; hsa04750	3RZE	23.4%
8	CHRM2	P08172	Muscarinic acetylcholine receptor M2	hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810	1LUB; 3UON; 4MQS; 4MQT	23.3%
9	ADRA2B	P18089	Alpha-2B adrenergic receptor	hsa04022; hsa04080	2CVA	22.7%
10	PYGM	P11217	Glycogen phosphorylase, muscle form	hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931	1Z8D	22.6%
11	DRD5	P21918	D(1B) dopamine receptor	hsa04020; hsa04024; hsa04080; hsa04728	NA	22.1%
12	CHRM3	P20309	Muscarinic acetylcholine receptor M3	hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972	2CSA	21.7%
13	ADRA2C	P18825	Alpha-2C adrenergic receptor	hsa04022; hsa04080	NA	21.7%
14	SLC6A2	P23975	Sodium-dependent noradrenaline transporter	NA	NA	21.2%
15	NR3C2	P08235	Mineralocorticoid receptor	hsa04960	1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT	21.2%
16	PGR	P06401	Progesterone receptor	hsa04114; hsa04914; hsa04915; hsa05224	1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR	20.8%
17	CHRM1	P11229	Muscarinic acetylcholine receptor M1	hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810	NA	20.7%
18	DRD2	P14416	D(2) dopamine receptor	hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034	1I15; 5AER	20.4%
19	HTR1A	P08908	5-hydroxytryptamine receptor 1A	hsa04024; hsa04080; hsa04726; hsa04742	NA	20.3%
20	ADRA1B	P35368	Alpha-1B adrenergic receptor	hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970	NA	19.6%