SEQ2FUN

BioLiP

PDB CCD ID: PPU
Number of entries in BioLiP: 0
Chemical formula: C22 H30 N7 O8 P
InChI: InChI=1S/C22H30N7O8P/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(30)16(15(37-22)9-36-38(32,33)34)27-21(31)14(23)8-12-4-6-13(35-3)7-5-12/h4-7,10-11,14-16,18,22,30H,8-9,23H2,1-3H3,(H,27,31)(H2,32,33,34)/t14-,15+,16+,18+,22+/m0/s1
InChIKey: NYICMZBLMICLBS-NVWDDTSBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O
OpenEye OEToolkits 1.5.0CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)NC(=O)C(Cc4ccc(cc4)OC)N)O
CACTVS 3.341COc1ccc(C[CH](N)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO[P](O)(O)=O)n3cnc4c(ncnc34)N(C)C)cc1
CACTVS 3.341COc1ccc(C[C@H](N)C(=O)N[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO[P](O)(O)=O)n3cnc4c(ncnc34)N(C)C)cc1
ACDLabs 10.04O=P(O)(O)OCC4OC(n2cnc1c2ncnc1N(C)C)C(O)C4NC(=O)C(N)Cc3ccc(OC)cc3
Name:PUROMYCIN-5'-MONOPHOSPHATE
ZINC: ZINC000058632803
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).