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BioLiP

PDB CCD ID: LUJ
Number of entries in BioLiP: 0
Chemical formula: C26 H51 N5 O13
InChI: InChI=1S/C26H51N5O13/c1-2-3-8-12(6-32)40-24(14(30)16(8)34)42-21-10(29)4-9(28)17(35)23(21)44-26-20(38)22(13(7-33)41-26)43-25-15(31)19(37)18(36)11(5-27)39-25/h8-26,32-38H,2-7,27-31H2,1H3/t8-,9-,10+,11+,12-,13-,14-,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1
InChIKey: GSHRTHLCTXGYPA-RNNXBIGMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC[C@H]1[C@H](O)[C@@H](N)[C@H](O[C@@H]1CO)O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O
OpenEye OEToolkits 2.0.7CCCC1C(OC(C(C1O)N)OC2C(CC(C(C2OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N)N)CO
CACTVS 3.385CCC[CH]1[CH](O)[CH](N)[CH](O[CH]1CO)O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CN)[CH](O)[CH](O)[CH]4N)[CH]3O
ACDLabs 12.01CCCC1C(CO)OC(C(C1O)N)OC2C(N)CC(C(C2OC3OC(CO)C(C3O)OC4OC(CN)C(O)C(O)C4N)O)N
OpenEye OEToolkits 2.0.7CCC[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N)N)CO
Name:(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside;
propylamycin
ChEMBL: CHEMBL4538701
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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