配体家族 - 小分子和化合物库

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Tideglusib,非ATP竞争性GSK-3β抑制剂
- ≥98%
CAS号: 865854-05-3 Compound CID : 11313622

分子式: C₁₉H₁₄N₂O₂S 分子量: 334.39

IUPAC Name: 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione

SMILES: C1=CC=C(C=C1)CN2C(=O)N(SC2=O)C3=CC=CC4=CC=CC=C43

InChIKey: PMJIHLSCWIDGMD-UHFFFAOYSA-N

InChI: 1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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UCN-01,PKC抑制剂
- ≥95%(HPLC)
CAS号: 112953-11-4 Compound CID : 72271

分子式: C₂₈H₂₆N₄O₄ 分子量: 482.53

IUPAC Name: (2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC

InChIKey: PBCZSGKMGDDXIJ-HQCWYSJUSA-N

InChI: 1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-See more
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渥曼青霉素
- ≥98%
CAS号: 19545-26-7 Compound CID : 312145

分子式: C₂₃H₂₄O₈ 分子量: 428.43

IUPAC Name: [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate

SMILES: CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)C

InChIKey: QDLHCMPXEPAAMD-QAIWCSMKSA-N

InChI: 1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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TCS 21311,JAK3抑制剂
- ≥98%
CAS号: 1260181-14-3 Compound CID : 50925411

分子式: C₂₇H₂₅F₃N₄O₄ 分子量: 526.51

IUPAC Name: 3-[5-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

SMILES: CC(C)(C(=O)N1CCN(CC1)C2=CC(=C(C=C2)C(F)(F)F)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)O

InChIKey: CLGRAWDGLMENOD-UHFFFAOYSA-N

InChI: 1S/C27H25F3N4O4/c1-26(2,38)25(37)34-11-9-33(10-12-34)15-7-8-19(27(28,29)30)17(13-15)21-22(24(36)32-23(21)35)18-14-31-20-6-4-3-5-16(18)20/h3-8,13-14,31,38H,9-12H2,1-2H3,(H,32,35,36)
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TC-G 24,GSK-3β抑制剂
- ≥98%(HPLC)
CAS号: 1257256-44-2 Compound CID : 49857866

分子式: C₁₅H₁₁ClN₄O₃ 分子量: 330.73

IUPAC Name: N-(3-chloro-4-methylphenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine

SMILES: CC1=C(C=C(C=C1)NC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChIKey: JYCNWQGNEJYDQS-UHFFFAOYSA-N

InChI: 1S/C15H11ClN4O3/c1-9-2-5-11(8-13(9)16)17-15-19-18-14(23-15)10-3-6-12(7-4-10)20(21)22/h2-8H,1H3,(H,17,19)
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Abemaciclib
- 10mM in DMSO
CAS号: 1231929-97-7

分子式: C₂₇H₃₂F₂N₈ 分子量: 506.59

IUPAC Name: N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine

SMILES: CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F

InChIKey: UZWDCWONPYILKI-UHFFFAOYSA-N

InChI: 1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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Tideglusib
- 10mM in DMSO
CAS号: 865854-05-3 Compound CID : 11313622

分子式: C₁₉H₁₄N₂O₂S 分子量: 334.39

IUPAC Name: 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione

SMILES: C1=CC=C(C=C1)CN2C(=O)N(SC2=O)C3=CC=CC4=CC=CC=C43

InChIKey: PMJIHLSCWIDGMD-UHFFFAOYSA-N

InChI: 1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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XY-06-007
Compound CID : 162526515

IUPAC Name: (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]propanamide

SMILES: Clc1ccc(C2=N[C@H](c3nnc(n3c3c2cc(cc3)OC)C)[C@H](C(=O)NCCCCCNC(=O)COc2c3c(C(=O)N(C3=O)C3C(=O)NC(=O)CC3)ccc2)C)cc1

InChIKey: QTDHGBJLMBQHOW-BPJPHOPQSA-N

InChI: 1S/C41H41ClN8O8/c1-22(35-37-48-47-23(2)49(37)29-15-14-26(57-3)20-28(29)36(46-35)24-10-12-25(42)13-11-24)38(53)44-19-6-4-5-18-43-33(52)21-58-31-9-7-8-27-34(31)41(56)50(40(27)55)30-16-17-32(51)45-39(30)See more
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SAR502250
- 10mM in DMSO
CAS号: 503860-57-9 Compound CID : 56589672

分子式: C₁₉H₁₈FN₅O₂ 分子量: 367.38
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GW779439X
- 10mM in DMSO
CAS号: 551919-98-3 Compound CID : 10173796

分子式: C₂₂H₂₁F₃N₈ 分子量: 454.46
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GW779439X
- ≥98%
CAS号: 551919-98-3 Compound CID : 10173796

分子式: C₂₂H₂₁F₃N₈ 分子量: 454.46

IUPAC Name: N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4)C(F)(F)F

InChIKey: ZOTNSCLLJKXGSD-UHFFFAOYSA-N

InChI: 1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)
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(E/Z)-GSK-3β inhibitor 1
- ≥99%
CAS号: 3367-88-2 Compound CID : 5796182

分子式: C₁₄H₁₀N₂O 分子量: 222.24

IUPAC Name: (3Z)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one

SMILES: C1=CC=C2C(=C1)C(=CC3=CC=CC=N3)C(=O)N2

InChIKey: YKQONSWBHGBDSB-XFXZXTDPSA-N

InChI: 1S/C14H10N2O/c17-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)16-14/h1-9H,(H,16,17)/b12-9-
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