acompound

Showing entry for Tpck

General Compound Information
BXGC Id	BXGC0046510
Compound Name	Tpck
Structure
Formula	C17H18ClNO3S
InchiKey	MQUQNUAYKLCRME-INIZCTEOSA-N
SMILES	ClCC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1
Inchi	InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1
IUPAC	N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
Molecular Weight	351.07
Pubchem Id	439647
Chembl Id	CHEMBL60718

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

TQ8

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
P42574	BXGT010317	Caspase-3	reviewed	CASP3	Enzyme	-	-	-	-
Q86V25	BXGT024433	Tubulinyl-Tyr carboxypeptidase 2	reviewed	VASH2	-	-	-	-	-
Q8N300	BXGT024434	Small vasohibin-binding protein	reviewed	SVBP	-	-	-	-	-

Binding DB

50085363

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT021771	Protein-arginine deiminase type-4	reviewed		PADI4	-	13000	-	-
reviewed	BXGT004860	Perilipin-1	reviewed		PLIN1	-	1868	-	-
reviewed	BXGT012560	Perilipin-5	reviewed		PLIN5	-	1901	-	-
reviewed	BXGT006770	Chymotrypsin-like elastase family member 2A	reviewed		CELA2A	-	48000	-	-
reviewed	BXGT006762	Cathepsin G	reviewed	Enzyme	CTSG	-	110000	-	-
reviewed	BXGT008932	Chymase	reviewed	Enzyme	CMA1	-	3300	-	-
reviewed	BXGT005647	Chymotrypsinogen A	reviewed		-	-	140000	-	-
reviewed	BXGT005645	Trypsin	reviewed		-	-	200000	-	-

CHEMBL

CHEMBL60718

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	33587	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	2818	nM
Q9UM07	BXGT021771	Protein-arginine deiminase type-4	reviewed	-	PADI4	IC50	'='	13000	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	39810	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	5173	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	28183	nM
O95398	BXGT005378	Rap guanine nucleotide exchange factor 3	reviewed	Enzyme modulator	RAPGEF3	Potency	-	89125	nM
P9WMR3	BXGT012397	Replicative DNA helicase	reviewed	-	dnaB	AC50	'='	323300	nM
P42345	BXGT010304	Serine/threonine-protein kinase mTOR	reviewed	Kinase	MTOR	Potency	'='	20749	nM
P87108	BXGT012099	Mitochondrial import inner membrane translocase subunit TIM10	reviewed	-	TIM10	IC50	'='	640	nM
O60240	BXGT004860	Perilipin-1	reviewed	-	PLIN1	IC50	'='	1868	nM
Q8WTS1	BXGT018985	1-acylglycerol-3-phosphate O-acyltransferase ABHD5	reviewed	-	ABHD5	IC50	'='	1868	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	'='	19952	nM
P9WHJ3	BXGT012297	Protein RecA	reviewed	-	recA	EC50	'='	712	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	3162	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	794	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	29081	nM
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Potency	-	16360	nM
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	3162	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	21192	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	112	nM
P42858	BXGT010341	Huntingtin	reviewed	-	HTT	Potency	'='	35481	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	18356	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	15848	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	14575	nM
P51151	BXGT010837	Ras-related protein Rab-9A	reviewed	-	RAB9A	Potency	'='	73078	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Potency	'='	19952	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	'='	3162	nM
Q194T2	BXGT013743	Non-structural protein 1	unreviewed	-	NS1	Potency	'='	17782	nM
P37840	BXGT010015	Alpha-synuclein	reviewed	Transporter	SNCA	Potency	-	16360	nM
Q6LX38	BXGT016359	Chaperonin GroEL (Thermosome, HSP60 family)	unreviewed	-	hsp60	Potency	-	100000	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	11220	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	11220	nM
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	15848	nM
P54132	BXGT011032	Bloom syndrome protein	reviewed	-	BLM	Potency	'='	50118	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	-	446	nM
P00766	BXGT005647	Chymotrypsinogen A	reviewed	-		I	'='	0	M
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	22387	nM
Q9HC16	BXGT020525	DNA dC->dU-editing enzyme APOBEC-3G	reviewed	Enzyme	APOBEC3G	Potency	-	19952	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	5623	nM
P9WMR3	BXGT012397	Replicative DNA helicase	reviewed	-	dnaB	AC50	'='	2032	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	'='	3162	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	79432	nM
P11021	BXGT007644	Endoplasmic reticulum chaperone BiP	reviewed	-	HSPA5	Potency	-	32885	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	398	nM
P97697	BXGT012214	Inositol monophosphatase 1	reviewed	-	Impa1	Potency	'='	12589	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	28183	nM
Q6W5P4	BXGT016588	Neuropeptide S receptor	reviewed	-	NPSR1	Potency	'='	12589	nM
P42345	BXGT010304	Serine/threonine-protein kinase mTOR	reviewed	Kinase	MTOR	Potency	'='	16481	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	7079	nM
P40225	BXGT010168	Thrombopoietin	reviewed	-	THPO	Potency	'='	10000	nM
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	Potency	'='	25118	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	'='	10000	nM
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	17782	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	7079	nM
Q6W5P4	BXGT016588	Neuropeptide S receptor	reviewed	-	NPSR1	Potency	'='	19952	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Potency	'='	10000	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	18356	nM
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Potency	'='	19952	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	50118	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	2818	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	44668	nM
Q01453	BXGT012588	Peripheral myelin protein 22	reviewed	Cellular structure	PMP22	Potency	'='	30131	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	14125	nM
P00766	BXGT005647	Chymotrypsinogen A	reviewed	-		IC50	'='	140000	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	15848	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	35481	nM
Q12809	BXGT013267	Potassium voltage-gated channel subfamily H member 2	reviewed	Ion channel	KCNH2	Potency	-	12589	nM
Q8WTS1	BXGT018985	1-acylglycerol-3-phosphate O-acyltransferase ABHD5	reviewed	-	ABHD5	IC50	'='	1901	nM
Q00G26	BXGT012560	Perilipin-5	reviewed	-	PLIN5	IC50	'='	1901	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	50118	nM
P42345	BXGT010304	Serine/threonine-protein kinase mTOR	reviewed	Kinase	MTOR	Potency	'='	23280	nM
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	Potency	'='	3162	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	'='	3162	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	3162	nM
P08311	BXGT006762	Cathepsin G	reviewed	Enzyme	CTSG	IC50	'='	110000	nM
Q194T2	BXGT013743	Non-structural protein 1	unreviewed	-	NS1	Potency	'='	5011	nM
P00766	BXGT005647	Chymotrypsinogen A	reviewed	-		K obs / 1	'='	7	M-1 s-1
P49798	BXGT010745	Regulator of G-protein signaling 4	reviewed	Enzyme modulator	RGS4	Potency	-	7519	nM
P49798	BXGT010745	Regulator of G-protein signaling 4	reviewed	Enzyme modulator	RGS4	Potency	-	17782	nM
P08419	BXGT006770	Chymotrypsin-like elastase family member 2A	reviewed	-	CELA2A	IC50	'='	48000	nM
O15648	BXGT004185	ATP-dependent 6-phosphofructokinase	reviewed	-	pfk	Potency	-	37933	nM
Q962Y6	BXGT019597	Thioredoxin glutathione reductase	unreviewed	-	TGR	Potency	'='	11220	nM
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Potency	-	10000	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	5623	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	1000	nM
P0A6C1	BXGT007045	Endonuclease 4	reviewed	-	nfo	Potency	'='	7079	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	31622	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	35481	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	'='	6309	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	14125	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	16360	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	17782	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	'='	12589	nM
P23946	BXGT008932	Chymase	reviewed	Enzyme	CMA1	IC50	'='	3300	nM
P00761	BXGT005645	Trypsin	reviewed	-		IC50	'='	200000	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	2592	nM
P42345	BXGT010304	Serine/threonine-protein kinase mTOR	reviewed	Kinase	MTOR	Potency	'='	18492	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	18356	nM
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	19952	nM
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC50	'='	3800	nM
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	IC50	'='	3800	nM
Q00653	BXGT012541	Nuclear factor NF-kappa-B p100 subunit	reviewed	Transcription factor	NFKB2	IC50	'='	3800	nM
P32897	BXGT009676	Mitochondrial import inner membrane translocase subunit TIM23	reviewed	-	TIM23	IC50	'='	2180	nM
Q14191	BXGT013452	Werner syndrome ATP-dependent helicase	reviewed	Enzyme	WRN	Potency	-	50118	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	7079	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	1000	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	6309	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	46945	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	9200	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	31622	nM
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	8436	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	7079	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	9466	nM
P00784	BXGT005655	Papain	reviewed	-		Potency	'='	15848	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	20596	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	8912	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	580	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	31622	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	2310	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	25118	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	15848	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	35481	nM
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	19952	nM
P53350	BXGT010984	Serine/threonine-protein kinase PLK1	reviewed	Kinase	PLK1	Potency	-	11917	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05059	vernonia cinerea	vernonia cinerea	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}