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H88

Summary
Name:~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide
Formula:C29 H26 N4 O5 S
Formal charge:0
Formula weight:542.606 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C29H26N4O5S/c1-18-3-10-23(16-25(18)31-27(35)13-14-34)33-28(36)12-7-21-17-30-26-15-20(6-11-24(26)29(21)33)19-4-8-22(9-5-19)32-39(2,37)38/h3-12,15-17,32,34H,13-14H2,1-2H3,(H,31,35)
InChIKeyInChI1.03PBOKXQRUWSFTHG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(cc1NC(=O)CCO)N2C(=O)C=Cc3cnc4cc(ccc4c23)c5ccc(N[S](C)(=O)=O)cc5
SMILESCACTVS3.385Cc1ccc(cc1NC(=O)CCO)N2C(=O)C=Cc3cnc4cc(ccc4c23)c5ccc(N[S](C)(=O)=O)cc5
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc(cc1NC(=O)CCO)N2c3c4ccc(cc4ncc3C=CC2=O)c5ccc(cc5)NS(=O)(=O)C
SMILESOpenEye OEToolkits2.0.6Cc1ccc(cc1NC(=O)CCO)N2c3c4ccc(cc4ncc3C=CC2=O)c5ccc(cc5)NS(=O)(=O)C

217705

건을2024-03-27부터공개중

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