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BioLiP Library

PDB CCD ID: 9XB
Number of entries in BioLiP: 1
Chemical formula: C35 H61 N O7
InChI: InChI=1S/C35H61NO7/c1-9-11-25(36(7)8)19-27-13-15-29(39-27)21(3)33-22(4)30-17-18-32(42-30)24(6)34(37)41-26(12-10-2)20-28-14-16-31(40-28)23(5)35(38)43-33/h21-33H,9-20H2,1-8H3/t21-,22-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+/m1/s1
InChIKey: AHOIPAFUOXGGQB-IKNPUDIKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC[CH]1C[CH]2CC[CH](O2)[CH](C)C(=O)O[CH]([CH](C)[CH]3CC[CH](C[CH](CCC)N(C)C)O3)[CH](C)[CH]4CC[CH](O4)[CH](C)C(=O)O1
OpenEye OEToolkits 2.0.6CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C(=O)O[C@H]([C@@H]([C@@H]3CC[C@@H](O3)[C@H](C(=O)O1)C)C)[C@H](C)[C@H]4CC[C@H](O4)C[C@@H](CCC)N(C)C)C
CACTVS 3.385CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@@H]([C@H](C)[C@H]3CC[C@@H](C[C@@H](CCC)N(C)C)O3)[C@H](C)[C@@H]4CC[C@@H](O4)[C@@H](C)C(=O)O1
OpenEye OEToolkits 2.0.6CCCC1CC2CCC(O2)C(C(=O)OC(C(C3CCC(O3)C(C(=O)O1)C)C)C(C)C4CCC(O4)CC(CCC)N(C)C)C
Name:Pamamycin 607
ZINC: ZINC000255193423
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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