Approved Ligands
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Romidepsin (FK228, Depsipeptide), Histone deacetylase inhibitorCas#: 128517-07-7 Compound CID: 5352062Formula: C24H36N4O6S2 Molecular Weight: 540.7IUPAC Name: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentoneSMILES: CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)CInChIKey: OHRURASPPZQGQM-GCCNXGTGSA-NInChI: InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1Synonyms: Methoxiphenadrinum | Depsipeptide | DEPSIPEPTIDE [WHO-DD] | Romidepsin (FK228) | Chromadax | L-Valine,3-didehydro-2- ...
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Chidamide impurity, Inhibitor of histone deacetylase 1Cas#: 743420-02-2 Compound CID: 9800555Formula: C22H19FN4O2 Molecular Weight: 390.41IUPAC Name: N-(2-amino-5-fluorophenyl)-4-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamideSMILES: C1=CC(=CN=C1)C=CC(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)F)NInChIKey: WXHHICFWKXDFOW-BJMVGYQFSA-NInChI: InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+Synonyms: HDAC-IN-7 | HBI-8000;CS-055 | N-(2-amino-5-fluorophenyl)-4-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide |...
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Vorinostat (SAHA, MK0683), Histone deacetylase 2 inhibitorCas#: 149647-78-9 Compound CID: 5311Formula: C14H20N2O3 Molecular Weight: 264.32IUPAC Name: N'-hydroxy-N-phenyloctanediamideSMILES: C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NOInChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-NInChI: InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)Synonyms: SAHA | MK0683 | BCPP000018 | SHH | BV164560 | AC-1923 | HSDB 7930 | N1-hydroxy-N8-phenyloctanediamide | N1-hydroxy-N8...
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Tacrolimus(FK506)Cas#: 104987-11-3 Compound CID: 445643Formula: C44H69NO12 Molecular Weight: 804.02IUPAC Name: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneSMILES: CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OCInChIKey: QJJXYPPXXYFBGM-LFZNUXCKSA-NInChI: InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1Synonyms: (7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one;Dihydroactinidiolide | CHEBI:93221 | DB00864 | HMS1792O21 | UN...
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Tacrolimus（anhydrous）(FK506), Inhibitor of FKBP prolyl isomerase 1A;Activator of TRPM8Cas#: 104987-11-3 Compound CID: 445643Formula: C44H69NO12 Molecular Weight: 804.02IUPAC Name: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneSMILES: CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OCInChIKey: QJJXYPPXXYFBGM-LFZNUXCKSA-NInChI: InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1Synonyms: (7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one;Dihydroactinidiolide | CHEBI:93221 | DB00864 | HMS1792O21 | UN...
