Approved Ligands
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Cobimetinib, Dual specificity mitogen-activated protein kinase kinase 2 inhibitorCas#: 934660-93-2 Compound CID: 16222096Formula: C21H21F3IN3O2 Molecular Weight: 531.31IUPAC Name: [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanoneSMILES: C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)OInChIKey: BSMCAPRUBJMWDF-KRWDZBQOSA-NInChI: InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1Synonyms: Cobimetinib [USAN:INN] | Cobimetinib [USAN] | MEK Inhibitor GDC-0973 | Q15708292 | [3,4-difluoro-2-(2-fluoro-4-iodoan...
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Montelukast, Antagonist of CysLT 1 receptor;Antagonist of GPR17Cas#: 158966-92-8 Compound CID: 5281040Formula: C35H36ClNO3S Molecular Weight: 586.18IUPAC Name: 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acidSMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)OInChIKey: UCHDWCPVSPXUMX-TZIWLTJVSA-NInChI: InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1Synonyms: Montelukast- Bio-X | BDBM50052024 | BIDD:GT0394 | (R,E)-2-(1-(((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-...
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Montelukast, Antagonist of CysLT 1 receptor;Antagonist of GPR17Cas#: 158966-92-8 Compound CID: 5281040Formula: C35H36ClNO3S Molecular Weight: 586.18IUPAC Name: 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acidSMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)OInChIKey: UCHDWCPVSPXUMX-TZIWLTJVSA-NInChI: InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1Synonyms: montelukast|158966-92-8|Singulair|Brondilat|Aerokast|142522-28-9|UNII-MHM278SD3E|MHM278SD3E|Montelukast (INN)|(R-(E))...
