SEQ2FUN

BioLiP

PDB CCD ID: SZ3
Number of entries in BioLiP: 1
Chemical formula: C6 H13 N O
InChI: InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/t5-,6-
InChIKey: IMLXLGZJLAOKJN-IZLXSQMJSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC1CCC(N)CC1
CACTVS 3.370N[C@@H]1CC[C@@H](O)CC1
OpenEye OEToolkits 1.7.2C1CC(CCC1N)O
CACTVS 3.370N[CH]1CC[CH](O)CC1
Name:trans-4-aminocyclohexanol
ZINC: ZINC000100005118
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).