SEQ2FUN

BioLiP

PDB CCD ID: IHG
Number of entries in BioLiP: 2
Chemical formula: C4 H11 N3 O
InChI: InChI=1S/C4H11N3O/c1-3(2)6-4(5)7-8/h3,8H,1-2H3,(H3,5,6,7)
InChIKey: OITVEDMMUMUWTL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(C)NC(=N)NO
ACDLabs 10.04[N@H]=C(NC(C)C)NO
Name:N-ISOPROPYL-N'-HYDROXYGUANIDINE
ChEMBL: CHEMBL72434
DrugBank: DB02143
ZINC: ZINC000013535998
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).