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BioLiP

PDB CCD ID: OWR
Number of entries in BioLiP: 0
Chemical formula: C16 H17 N2 O6 P
InChI: InChI=1S/C16H17N2O6P/c19-14-7-16(24-15(14)8-23-25(20,21)22)18-9-17-12-5-10-3-1-2-4-11(10)6-13(12)18/h1-6,9,14-16,19H,7-8H2,(H2,20,21,22)/t14-,15+,16+/m0/s1
InChIKey: HNXFPKXDQSBACZ-ARFHVFGLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3cc4ccccc4cc23
ACDLabs 12.01O=P(O)(O)OCC1OC(CC1O)n1cnc2cc3ccccc3cc21
OpenEye OEToolkits 2.0.7c1ccc2cc3c(cc2c1)ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O
CACTVS 3.385O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3cc4ccccc4cc23
OpenEye OEToolkits 2.0.7c1ccc2cc3c(cc2c1)ncn3C4CC(C(O4)COP(=O)(O)O)O
Name:1-[2-deoxy-5-O-(dihydroxyphosphanyl)-beta-D-erythro-pentofuranosyl]-1H-naphtho[2,3-d]imidazole
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).
  • 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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