SEQ2FUN

BioLiP

PDB CCD ID: A1A3V
Number of entries in BioLiP: 1
Chemical formula: C9 H19 N O
InChI: InChI=1S/C9H19NO/c1-8(11)7-10-9-5-3-2-4-6-9/h8-11H,2-7H2,1H3/t8-/m1/s1
InChIKey: HFHPBMVMXFZJNO-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0C[C@@H](CNC1CCCCC1)O
CACTVS 3.385C[CH](O)CNC1CCCCC1
CACTVS 3.385C[C@@H](O)CNC1CCCCC1
ACDLabs 14.52CC(O)CNC1CCCCC1
OpenEye OEToolkits 3.1.0.0CC(CNC1CCCCC1)O
Name:(2R)-1-(cyclohexylamino)propan-2-ol
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).