SEQ2FUN

BioLiP

PDB CCD ID: WWC
Number of entries in BioLiP: 2
Chemical formula: C10 H12 N6 O
InChI: InChI=1S/C10H12N6O/c1-10(2-3-10)9(17)16-15-8-6-7(12-4-11-6)13-5-14-8/h4-5H,2-3H2,1H3,(H,16,17)(H2,11,12,13,14,15)
InChIKey: NBIADPZZLKISOX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CC1(CC1)C(=O)NNc1ncnc2nc[NH]c12
OpenEye OEToolkits 2.0.7CC1(CC1)C(=O)NNc2c3c(nc[nH]3)ncn2
CACTVS 3.385CC1(CC1)C(=O)NNc2ncnc3nc[nH]c23
Name:1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide
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).