Approved Ligands
Shop By
-
LDK378, NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)Cas#: 1032900-25-6 Compound CID: 57379345Formula: C28H36ClN5O3S Molecular Weight: 558.14IUPAC Name: 5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamineSMILES: CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)ClInChIKey: VERWOWGGCGHDQE-UHFFFAOYSA-NInChI: InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)Synonyms: K418KG2GET | 5-chloro-2-N-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-4-N-[2-(propane-2-sulfonyl)phenyl]py...
-
Miglustat, Ceramide glucosyltransferase inhibitorCas#: 72599-27-0 Compound CID: 51634Formula: C10H21NO4 Molecular Weight: 219.28IUPAC Name: (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triolSMILES: CCCCN1CC(C(C(C1CO)O)O)OInChIKey: UQRORFVVSGFNRO-UTINFBMNSA-NInChI: InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1Synonyms: NB-DNJ | 1,5-(Butylimino)-1,5-dideoxy-D-glucitol(2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol | N-(n-...
-
Lorlatinib, EML4-ALK inhibitorCas#: 1454846-35-5 Compound CID: 71731823Formula: C21H19FN6O2 Molecular Weight: 406.41IUPAC Name: (16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrileSMILES: CC1C2=C(C=CC(=C2)F)C(=O)N(CC3=NN(C(=C3C4=CC(=C(N=C4)N)O1)C#N)C)CInChIKey: IIXWYSCJSQVBQM-LLVKDONJSA-NInChI: InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1Synonyms: (10R)-7-Amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-4,8-methenopyrazolo(4,3-h)(2,5,11)benzoxad...
-
Brigatinib, Epidermal growth factor receptor erbB1 inhibitorCas#: 1197953-54-0 Compound CID: 68165256Formula: C29H39ClN7O2P Molecular Weight: 584.09IUPAC Name: 5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamineSMILES: CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OCInChIKey: AILRADAXUVEEIR-UHFFFAOYSA-NInChI: InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)Synonyms: 1197953-54-0 | NCGC00483924-01 | (2-((5-chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino...
-
LDK378, NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)Cas#: 1032900-25-6 Compound CID: 57379345Formula: C28H36ClN5O3S Molecular Weight: 558.14IUPAC Name: 5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamineSMILES: CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)ClInChIKey: VERWOWGGCGHDQE-UHFFFAOYSA-NInChI: InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)Synonyms: ceritinib|1032900-25-6|LDK378|ZYKADIA|LDK-378|NVP-LDK378-NX|5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phen...
-
Miglustat, Ceramide glucosyltransferase inhibitorCas#: 72599-27-0 Compound CID: 51634Formula: C10H21NO4 Molecular Weight: 219.28IUPAC Name: (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triolSMILES: CCCCN1CC(C(C(C1CO)O)O)OInChIKey: UQRORFVVSGFNRO-UTINFBMNSA-NInChI: InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1Synonyms: NCGC00018140-02 | A16AX06 | NB-DNJ | Tox21_110830_1 | 1,5-(Butylimino)-1,5-dideoxy-D-glucitol(2R,3R,4R,5S)-1-Butyl-2-...
