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BioLiP

PDB CCD ID: 4GY
Number of entries in BioLiP: 1
Chemical formula: C10 H16 N4 O2
InChI: InChI=1S/C10H16N4O2/c11-9-8(13-16-14-9)10(15)12-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,14)(H,12,15)
InChIKey: LMUMGZXENBDFGR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CCC(CC1)CNC(=O)c2c(non2)N
ACDLabs 12.01
CACTVS 3.385		Nc1nonc1C(=O)NCC2CCCCC2
Name:4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
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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