ChemDiv的半胱氨酸靶向共价库包含39,301个化合物。
在治疗开发中,共价药物作为一个独特而独特的类别脱颖而出。尽管它们在批准的药物中占有很大一部分,但这些药物中只有极少数被有意设计用于与生物靶点共价结合。
与其他类型的化学相互作用相比,小分子抑制剂与其靶标的共价键可以显着提高其效力和/或选择性。这是通过参与反应性官能团来实现的,这些官能团专门设计用于与靶蛋白分子(通常是氨基酸的侧链)中的特定位点形成共价键。这些侧链可以是靶酶中催化机制的组成部分,也可以是位于结合口袋旁边的非催化侧链。共价键明显强于非共价相互作用,因此共价抑制剂的开发为比非共价候选药物更有效的治疗方法开辟了一条道路。由于共价结合通常是不可逆的,因此共价靶向抑制剂对可逆拮抗剂发挥更长的活性,因为靶标在蛋白质降解和随后的从头合成之前一直处于抑制状态。
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 |
Vadadustat | TAK875 | TAK-779 | Tegobuvir | RN-1734 | BMS-687453 | AM211 | FT011 | BMS754807 | AAI101 | ||
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 |
RPW-24 | SRT1720 hydrochloride | INH6 | SRT 2183 | AMG208 | Pentadecanoic acid | Apiopaeonoside | Pemirolast potassium | L-Anserine nitrate salt | Sodium Picosulfate | ||
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 |
Lercanidipine | Cobicistat | 1-Ethyl-2-benzimidazolinone | ROSIRIDIN | PF-AKT400 | Benzyl alcohol | 1-Methylnicotinamide chloride | MX69 | CVT-10216 | LCL161 | ||
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 |
Tirasemtiv | Roniacol | Rg3039 | Z433927330 | Desloratadine | CH5132799 | 5-Bromoindole | Smurf1-IN-A01 | Halosulfuron-methyl | Piceatannol | ||
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 |
ML346 | SB 4 | Daclatasvir | Daclatasvir dihydrochloride | NADPH (tetracyclohexanamine) | AZD8055 | Vistusertib | PAβN dihydrochloride | HZ1157 | Rotundine | ||
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 |
Thiamet G | B-AP15 | Silmitasertib | Levofloxacin | Pamicogrel | GSK369796 Dihydrochloride | 2-Chloronaphthoquinone | TFAP | Tenovin3 | Azvudine | ||
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 |
Milnacipran hydrochloride | BW-A78U | Tenovin-6 | DL-Normetanephrine hydrochloride | Triclocarban | CUDC101 | Chlorpropham | Mestinon | Zacopride hydrochloride | PF04691502 | ||
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 |
L-Hyoscyamine | Noreugenin | ML-030 | BC-1382 | Gadolinium chloride | Vorolanib | VTP-27999 TFA | GSK0660 | Lomerizine hydrochloride | 8-CHLOROQUINAZOLIN-4(1H)-ONE |