SEQ2FUN

BioLiP

PDB CCD ID: A1AJN
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N2
InChI: InChI=1S/C11H16N2/c12-9-11(6-2-3-7-11)10-5-1-4-8-13-10/h1,4-5,8H,2-3,6-7,9,12H2
InChIKey: DQSRGJUPRBBWIV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccnc(c1)C2(CCCC2)CN
ACDLabs 12.01NCC1(CCCC1)c1ccccn1
CACTVS 3.385NCC1(CCCC1)c2ccccn2
Name:1-[1-(pyridin-2-yl)cyclopentyl]methanamine
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).