SEQ2FUN

BioLiP

PDB CCD ID: LMZ
Number of entries in BioLiP: 70
Chemical formula: C9 H14 N4 O7
InChI: InChI=1S/C9H14N4O7/c14-2-4(16)6(17)3(15)1-10-7-5(13-20)8(18)12-9(19)11-7/h3-4,6,14-17H,1-2H2,(H3,10,11,12,18,19)/t3-,4+,6-/m0/s1
InChIKey: YMWIHKCBRFEJMH-RPDRRWSUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CNC1=C(N=O)C(=O)NC(=O)N1
ACDLabs 10.04O=C1NC(NCC(O)C(O)C(O)CO)=C(N=O)C(=O)N1
OpenEye OEToolkits 1.5.0C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@@H](O)CNC1=C(N=O)C(=O)NC(=O)N1
OpenEye OEToolkits 1.5.0C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O
Name:5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE
DrugBank: DB04128
ZINC: ZINC000003871157
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).