SEQ2FUN

BioLiP

PDB CCD ID: 4JU
Number of entries in BioLiP: 2
Chemical formula: C7 H15 N
InChI: InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
InChIKey: KSMVBYPXNKCPAJ-LJGSYFOKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH]1CC[CH](N)CC1
OpenEye OEToolkits 1.9.2CC1CCC(CC1)N
CACTVS 3.385C[C@@H]1CC[C@@H](N)CC1
ACDLabs 12.01NC1CCC(CC1)C
Name:trans-4-methylcyclohexanamine
ChEMBL: CHEMBL3780789
ZINC: ZINC000100008245
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).