自噬化合物库US

Autophagy Library

产品编号： US2000

UORSY 的自噬库中包含14685个化合物。自噬对于维持生物体细胞功能至关重要。该过程确保清除异常细胞器、病原细菌和病毒，从而促进宿主细胞的存活或死亡。由于其机制的复杂性，我们结合了对接、药效团建模和相似性搜索的方法来创建我们的自噬库。目标列表包括参与自噬调控的途径调节因子、受体、激酶和蛋白质相互作用（SUFU、STK36、SONIC、SMO、KIF7、GRK2、GLI1、Gli2、AKT1、AMPK、BCL2、BCLXL、BCL9/bCatenin、TCF4/bCatenin、CDK1、CDK2、CDK5、EG5、EGFR、GluA2、IGF1R、MAPK、P70S6、PDK1、PI3KclassI（α、β、δ、γ）、PI3KclassIII（VPS34）、ROCK1、ROCK2、TAK1/TAB1、UKL1、DKK1、DVL、PYGO、SFRP）。通过附加的不良部分过滤和符合 Ro5（类药性五规则），得到的化合物集合。UORSY 自噬库的物理化学特性：160

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Autophagy is crucial for the maintenance of cellular functions in living organisms. The process assures clearance of abnormal organelles, pathogenic bacteria, and viruses, therefore promoting survival or death of the host cell. Due to the complexity of its mechanisms we have combined docking, pharmacophore modeling, and similarity search to create our autophagy library. The list of targets includes modulators of pathways, receptors, kinases, and PPIs, which are reported to take part in autophagy regulation (SUFU, STK36, SONIC, SMO, KIF7, GRK2, GLI1, Gli2, AKT1, AMPK, BCL2, BCLXL, BCL9/bCatenin, TCF4/bCatenin, CDK1, CDK2, CDK5, EG5, EGFR, GluA2, IGF1R, MAPK, P70S6, PDK1, PI3KclassI (alpha, beta, delta, gamma), PI3KclassIII (VPS34), ROCK1, ROCK2, TAK1/TAB1, UKL1, DKK1, DVL, PYGO, SFRP). The resulting set is additionally filtered from undesirable moieties and fits in Ro5. Physicochemical profiles of UORSY autophagy library:160<MW<500; 1<HbA<9; 0<HbD<5; -2<logP<5; RotBonds≤9; TPSA<170.

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Empty	1000025-07-9	1000413-72-8	229005-80-5	1000787-75-6	946387-07-1	1000998-59-3	1175526-27-8	1001288-58-9	1001350-96-4	1001404-83-6	Empty
Empty	Vadadustat	TAK875	TAK-779	Tegobuvir	RN-1734	BMS-687453	AM211	FT011	BMS754807	AAI101	Empty
Empty	1001625-82-6	1001645-58-4	1001753-24-7	1001908-89-9	1002304-34-8	1002-84-2	100291-86-9	100299-08-9	10030-52-1	10040-45-6	Empty
Empty	RPW-24	SRT1720 hydrochloride	INH6	SRT 2183	AMG208	Pentadecanoic acid	Apiopaeonoside	Pemirolast potassium	L-Anserine nitrate salt	Sodium Picosulfate	Empty
Empty	100427-26-7	1004316-88-4	10045-45-1	100462-37-1	1004990-28-6	100-51-6	1005-24-9	1005264-47-0	1005334-57-5	1005342-46-0	Empty
Empty	Lercanidipine	Cobicistat	1-Ethyl-2-benzimidazolinone	ROSIRIDIN	PF-AKT400	Benzyl alcohol	1-Methylnicotinamide chloride	MX69	CVT-10216	LCL161	Empty
Empty	1005491-05-3	100-55-0	1005504-62-0	1005883-72-6	100643-71-8	1007207-67-1	10075-50-0	1007647-73-5	100784-20-1	10083-24-6	Empty
Empty	Tirasemtiv	Roniacol	Rg3039	Z433927330	Desloratadine	CH5132799	5-Bromoindole	Smurf1-IN-A01	Halosulfuron-methyl	Piceatannol	Empty
Empty	100872-83-1	100874-08-6	1009119-64-5	1009119-65-6	100929-71-3	1009298-09-2	1009298-59-2	100929-99-5	1009734-33-1	10097-84-4	Empty
Empty	ML346	SB 4	Daclatasvir	Daclatasvir dihydrochloride	NADPH (tetracyclohexanamine)	AZD8055	Vistusertib	PAβN dihydrochloride	HZ1157	Rotundine	Empty
Empty	1009816-48-1	1009817-63-3	1009820-21-6	100986-85-4	101001-34-7	1010411-21-8	1010-60-2	1011244-68-0	1011301-27-1	1011529-10-4	Empty
Empty	Thiamet G	B-AP15	Silmitasertib	Levofloxacin	Pamicogrel	GSK369796 Dihydrochloride	2-Chloronaphthoquinone	TFAP	Tenovin3	Azvudine	Empty
Empty	101152-94-7	101155-02-6	1011557-82-6	1011-74-1	101-20-2	1012054-59-9	101-21-3	101-26-8	101303-98-4	1013101-36-4	Empty
Empty	Milnacipran hydrochloride	BW-A78U	Tenovin-6	DL-Normetanephrine hydrochloride	Triclocarban	CUDC101	Chlorpropham	Mestinon	Zacopride hydrochloride	PF04691502	Empty
Empty	101-31-5	1013-69-0	1013750-77-0	1013753-99-5	10138-52-0	1013920-15-4	1013937-63-7	1014691-61-2	101477-54-7	101494-95-5	Empty
Empty	L-Hyoscyamine	Noreugenin	ML-030	BC-1382	Gadolinium chloride	Vorolanib	VTP-27999 TFA	GSK0660	Lomerizine hydrochloride	8-CHLOROQUINAZOLIN-4(1H)-ONE	Empty

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