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BioLiP

PDB CCD ID: NO4
Number of entries in BioLiP: 6
Chemical formula: C15 H21 N
InChI: InChI=1S/C15H21N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h2,5-7,9-10,16H,1,3-4,8,11-13H2
InChIKey: RTJNHLXWVAXRBH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNCCC2=CCCCC2
CACTVS 3.385C1CCC(=CC1)CCNCc2ccccc2
ACDLabs 12.01c1ccc(cc1)CNCCC=2CCCCC=2
Name:N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine
ChEMBL: CHEMBL1625834
ZINC: ZINC000002132373
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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