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BioLiP

PDB CCD ID: R8S
Number of entries in BioLiP: 11
Chemical formula: C5 H8 N4 O
InChI: InChI=1S/C5H8N4O/c1-10-4-2-3-7-5(8-4)9-6/h2-3H,6H2,1H3,(H,7,8,9)
InChIKey: HXQPYFMXCAIHAB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccnc(NN)n1
OpenEye OEToolkits 2.0.6COc1ccnc(n1)NN
ACDLabs 12.01c1(nc(ccn1)OC)NN
Name:2-hydrazinyl-4-methoxypyrimidine
ZINC: ZINC000000330579
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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