SEQ2FUN

BioLiP

PDB CCD ID: US6
Number of entries in BioLiP: 2
Chemical formula: C35 H45 N O10
InChI: InChI=1S/C35H45NO10/c1-14-10-9-11-15(2)35(46)36-22-13-23(37)24-25(32(43)21(8)33(44)26(24)34(22)45)29(40)17(4)12-16(3)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-14,16,18-20,27-28,30-31,38-39,41-44H,1-8H3,(H,36,46)/b10-9+,15-11-,17-12+/t14-,16-,18+,19+,20+,27-,28-,30+,31+/m0/s1
InChIKey: VFGOUSMZKMNRLA-CVQHHNHTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c2c3c(c1O)C(=O)C(=CC3=O)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H]([C@H](/C=C(/C2=O)\C)C)O)C)O)C)O)C)O)C)/C)O
CACTVS 3.385C[CH]1C=CC=C(C)C(=O)NC2=CC(=O)c3c(c(O)c(C)c(O)c3C2=O)C(=O)C(=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH]1O)C
CACTVS 3.385C[C@H]1/C=C/C=C(C)\C(=O)NC2=CC(=O)c3c(c(O)c(C)c(O)c3C2=O)C(=O)\C(=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)C
OpenEye OEToolkits 2.0.7Cc1c(c2c3c(c1O)C(=O)C(=CC3=O)NC(=O)C(=CC=CC(C(C(C(C(C(C(C(C(C=C(C2=O)C)C)O)C)O)C)O)C)O)C)C)O
Name:(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20Z)-2,4,10,12,14,16-hexahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone;
34a-Deoxy-rifamycin W
ZINC: ZINC000255272846
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).