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BioLiP

PDB CCD ID: FM1
Number of entries in BioLiP: 3
Chemical formula: C11 H15 N5 O4
InChI: InChI=1S/C11H15N5O4/c1-12-11-7-5(13-3-14-11)6(15-16-7)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H,15,16)(H,12,13,14)/t4-,8-,9-,10+/m1/s1
InChIKey: JRRNRCMIBCSOIH-LFAOKBQASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CNc1c2c(c(n[nH]2)C3C(C(C(O3)CO)O)O)ncn1
ACDLabs 10.04OC1C(OC(CO)C1O)c3nnc2c3ncnc2NC
CACTVS 3.341CNc1ncnc2c1[nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O
CACTVS 3.341CNc1ncnc2c1[nH]nc2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0CNc1c2c(c(n[nH]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)ncn1
Name:2-HYDROXYMETHYL-5-(7-METHYLAMINO-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-TETRAHYDRO-FURAN-3,4-DIOL;
N7-METHYL-FORMYCIN A
ChEMBL: CHEMBL1232774
DrugBank: DB02066
ZINC: ZINC000005888080
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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