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BioLiP

PDB CCD ID: FMB
Number of entries in BioLiP: 12
Chemical formula: C10 H12 N4 O5
InChI: InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1
InChIKey: MTCJZZBQNCXKAP-KSYZLYKTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=Nc2c(n[nH]c2C(=O)N1)C3C(C(C(O3)CO)O)O
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)c2n[nH]c3C(=O)NC=Nc23
ACDLabs 10.04O=C1NC=Nc2c1nnc2C3OC(CO)C(O)C3O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2n[nH]c3C(=O)NC=Nc23
OpenEye OEToolkits 1.5.0C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
Name:FORMYCIN B
ChEMBL: CHEMBL1232777
DrugBank: DB04198
ZINC: ZINC000008577182
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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