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BioLiP

PDB CCD ID: DCF
Number of entries in BioLiP: 8
Chemical formula: C11 H16 N4 O4
InChI: InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
InChIKey: FPVKHBSQESCIEP-JQCXWYLXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3[C@H](O)CNC=Nc23
OpenEye OEToolkits 1.5.0c1nc2c(n1C3CC(C(O3)CO)O)N=CNCC2O
ACDLabs 10.04n2c1c(N=CNCC1O)n(c2)C3OC(C(O)C3)CO
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC[C@H]2O
CACTVS 3.341OC[CH]1O[CH](C[CH]1O)n2cnc3[CH](O)CNC=Nc23
Name:2'-DEOXYCOFORMYCIN
ChEMBL: CHEMBL1580
DrugBank: DB00552
ZINC: ZINC000003806262
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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