配体家族 - 小分子和化合物库

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β-谷甾醇
- ≥75%
CAS号: 83-46-5 EC号: 201-480-6 Compound CID : 222284

分子式: C₂₉H₅₀O 分子量: 414.71

IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C

InChIKey: KZJWDPNRJALLNS-VJSFXXLFSA-N

InChI: 1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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GSK321
- ≥99%
CAS号: 1816331-63-1 Compound CID : 91864709

分子式: C₂₈H₂₈FN₅O₃ 分子量: 501.55

IUPAC Name: (7R)-1-[(4-fluorophenyl)methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

SMILES: CC1CN(CC2=C1N(N=C2C(=O)NC3=CC=CC(=C3)C(C)O)CC4=CC=C(C=C4)F)C(=O)C5=CC=CN5

InChIKey: IVFDDVKCCBDPQZ-MSOLQXFVSA-N

InChI: 1S/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/m1/s1
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Thrombin Inhibitor 2
- ≥99%
CAS号: 312904-62-4 Compound CID : 9955534

分子式: C₁₉H₁₆ClF₃N₆O₂ 分子量: 452.82

IUPAC Name: 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-fluoropyridin-2-yl)methyl]acetamide

SMILES: C1=CC=NC(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC=N3)F)Cl)(F)F

InChIKey: AATHXZYXWMKUFC-UHFFFAOYSA-N

InChI: 1S/C19H16ClF3N6O2/c20-15-9-27-17(28-11-19(22,23)14-5-1-2-6-25-14)18(31)29(15)10-16(30)26-8-13-12(21)4-3-7-24-13/h1-7,9H,8,10-11H2,(H,26,30)(H,27,28)
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UKI-1
- ≥96%
CAS号: 220355-63-5 Compound CID : 9895193

分子式: C₃₂H₄₇N₅O₅S 分子量: 613.81

IUPAC Name: ethyl 4-[(2S)-3-(3-carbamimidoylphenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate

SMILES: CCOC(=O)N1CCN(CC1)C(=O)C(CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C

InChIKey: ISJSHQTWOHGCMM-NDEPHWFRSA-N

InChI: 1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28See more
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IDH1 Inhibitor 1
- ≥99%
CAS号: 2234285-81-3 Compound CID : 137333448

分子式: C₂₀H₁₈F₄N₆O₂ 分子量: 450.39

IUPAC Name: (4R)-4-(fluoromethyl)-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

SMILES: CC(C1=CN(C=N1)C2=CC=C(C=C2)C(F)(F)F)NC3=NC=CC(=N3)N4C(COC4=O)CF

InChIKey: ULTZLMKTFYRMFK-WFASDCNBSA-N

InChI: 1S/C20H18F4N6O2/c1-12(16-9-29(11-26-16)14-4-2-13(3-5-14)20(22,23)24)27-18-25-7-6-17(28-18)30-15(8-21)10-32-19(30)31/h2-7,9,11-12,15H,8,10H2,1H3,(H,25,27,28)/t12-,15-/m0/s1
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IDH889
- ≥98%
CAS号: 1429179-07-6 Compound CID : 71542286

分子式: C₂₃H₂₅FN₆O₂ 分子量: 436.48

IUPAC Name: (4S)-3-[2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

SMILES: CC1=C(C=CC(=C1)C2=CN=C(N=C2)C(C)NC3=NC=CC(=N3)N4C(COC4=O)C(C)C)F

InChIKey: JDCYIMQAIKEACU-HNAYVOBHSA-N

InChI: 1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15-,19+/m0/s1
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IDH889
- 10mM in DMSO
CAS号: 1429179-07-6 Compound CID : 71542286

分子式: C₂₃H₂₅FN₆O₂ 分子量: 436.48
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UKI-1
- 10mM in DMSO
CAS号: 220355-63-5 Compound CID : 9895193

分子式: C₃₂H₄₇N₅O₅S 分子量: 613.81
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