QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P01834

No. Gene UniProt ID Protein Name Pathway PDB

1 IGKC P01834 Ig kappa chain C region NA
1A4J; 1A4K; 1CLY; 1D5B; 1D5I; 1D6V; 1DFB; 1GAF; 1HEZ; 1HKL; 1HZH; 1I7Z; 1MIM; 1N0X; 1OM3; 1OP3; 1OP5; 1UCB; 2NY7; 2O5X; 2O5Y; 2O5Z; 2QQK; 2QQL; 2QQN; 2QSC; 2R56; 2RFX; 2VXQ; 3B2U; 3B2V; 3BDY; 3BE1; 3BKY; 3BN9; 3BQU; 3C08; 3C09; 3CFJ; 3CFK; 3CSY; 3D0L; 3D85; 3DVG; 3DVN; 3EYF; 3EYO; 3EYQ; 3IU3; 3O11; 3QCT; 3QCU; 3QCV; 3RU8; 3U0W; 3U7W; 3U7Y; 3VH8; 3WUW; 3X11; 3X12; 4D9R; 4HIX; 4NM4; 4NM8; 4XMP; 4XNY; 4XNZ; 4XXD; 4YDV

14 known interactions (drugs) of input target (IGKC): Ig kappa chain C region

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB08647	TRAZEOLIDE	[H][C@]1(C)[C@]([H])(C(C)C)C2=C(C=C(C)C(=C2)C(=O)CCC(O)=O)C1(C)C
2	Experimental	SmallMoleculeDrug	DB01851	Tetrabutylammonium Ion	CCCC[N+](CCCC)(CCCC)CCCC
3	Experimental	SmallMoleculeDrug	DB07416	(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE	[H][C@](CO)(COC(=O)CCCCCCCC)OC(=O)CCC
4	Experimental	SmallMoleculeDrug	DB07909	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL	[H][C@]1(O)C[C@]([H])(CC[C@]1([H])C1=CC=C(C=C1)C(=O)NCCCC(O)=O)C1=CC=CC=C1
5	Experimental	SmallMoleculeDrug	DB07441	3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID	CN1C2=CC=CC=C2C(C#N)(C(=O)NCCC(O)=O)C2=C1C=CC=C2
6	Experimental	SmallMoleculeDrug	DB07784	[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID	[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(CC[C@@]2([H])CC1)NC(=O)OCC(O)=O)C1=CC=C(NC(C)=O)C=C1
7	Experimental	SmallMoleculeDrug	DB08413	METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER	C[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O
8	Experimental	SmallMoleculeDrug	DB04688	Methylecgonine	[H][C@@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OC)[C@@]([H])(O)C2
9	Experimental	SmallMoleculeDrug	DB08289	N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE	OC(=O)CCCC(=O)NC1=CC=C(CC[N+]2([O-])CCCCC2)C=C1
10	Experimental	SmallMoleculeDrug	DB07716	(4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL	[H][C@@]12C[C@]3([H])O[C@]4([H])C\C=C/[C@]([H])(O)[C@@]([H])(CO)O[C@@]4([H])C=C[C@@]3([H])O[C@@]1([H])[C@]([H])(O)[C@@]1([H])OCC=CC[C@]1([H])O2
11	Experimental	SmallMoleculeDrug	DB07882	4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID	[H][C@@]12O[C@]1(C)CC[C@]1([H])[C@]2(C)CCC[N@+]1([O-])CC(=O)NC1=CC=C(NC(=O)CCCC(O)=O)C=C1
12	Experimental	SmallMoleculeDrug	DB08562	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	OC(=O)CCCC(=O)NC1=CC=C(\C=C\C2=CC=CC=C2)C=C1
13	Experimental	SmallMoleculeDrug	DB07893	PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE	[H][C@@](CCCC)(NC(=O)CCC(O)=O)[P@](O)(=O)OC1=CC=CC=C1
14	Experimental	SmallMoleculeDrug	DB07375	5-BETA-ANDROSTANE-3,17-DIONE	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C

20 predicted interactions (drugs) of input target (IGKC): Ig kappa chain C region

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Nutraceutical	SmallMoleculeDrug	DB00116	Tetrahydrofolic acid	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1	24.2%
2	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00143	Glutathione	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O	23.7%
3	Experimental	SmallMoleculeDrug	DB08412	6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID	OC(=O)CCCCCNC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O	22.9%
4	Experimental	SmallMoleculeDrug	DB07816	N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID	OC(=O)C\N=C(\NC(C1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=C(C=C1)C#N	22.9%
5	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00627	Niacin	OC(=O)C1=CN=CC=C1	22.2%
6	Approved; Nutraceutical	SmallMoleculeDrug	DB00151	L-Cysteine	N[C@@H](CS)C(O)=O	21.8%
7	Approved; Investigational	BiotechDrug	DB11639	Dibotermin alfa	NA	21.7%
8	Experimental	SmallMoleculeDrug	DB07672	TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-N-OXIDE	[H][C@@]1(CC[N@@+](C)([O-])CC1)[Si](C)(C)C1=CC=CC=C1	20.8%
9	Experimental	SmallMoleculeDrug	DB01972	Guanosine-5'-Monophosphate	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1	20.7%
10	Experimental	SmallMoleculeDrug	DB08409	4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE	OC(=O)CNC(=O)CCC[P@@](O)(=O)OCC1=CC=C(C=C1)[N+]([O-])=O	20.2%
11	Experimental	SmallMoleculeDrug	DB08377	N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine	[H][C@](C)(N=C(O)CCCP(O)(=O)OC1=CC=C(C=C1)N(=O)=O)C(O)=O	19.9%
12	Investigational	SmallMoleculeDrug	DB05053	MB-07803	CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(=O)OCC)C1=CC=C(O1)C1=C(SC(N)=N1)C(=O)C(C)(C)C	19.8%
13	Experimental	SmallMoleculeDrug	DB03740	N-acetyl-alpha-D-glucosamine	[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N=C(C)O	19.7%
14	Approved; Investigational	SmallMoleculeDrug	DB01411	Pranlukast	O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1	19.0%
15	Experimental	SmallMoleculeDrug	DB07812	N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide	[H][C@](CN)(NC(=O)C1=CC=C(S1)C1=C2C=CNC2=NC=C1)C1=CC=CC=C1	18.8%
16	Experimental	SmallMoleculeDrug	DB02742	Kifunensine	[H][C@]12NC(=O)C(=O)N1[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O	18.4%
17	Experimental	SmallMoleculeDrug	DB08296	5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID	OC(=O)CCCC[P@]([O-])(=O)OC1=CC=C(C=C1)[N+]([O-])=O	18.3%
18	Approved; Investigational	SmallMoleculeDrug	DB01345	Potassium	[K+]	18.1%
19	Experimental	SmallMoleculeDrug	DB07371	3-(10-methyl-9-anthryl)propanoic acid	CC1=C2C=CC=CC2=C(CCC(O)=O)C2=C1C=CC=C2	18.0%
20	Approved; Investigational	SmallMoleculeDrug	DB01029	Irbesartan	CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1	17.4%