SEQ2FUN

BioLiP

PDB CCD ID: A1A3W
Number of entries in BioLiP: 3
Chemical formula: C9 H14 N2
InChI: InChI=1S/C9H14N2/c1-3-9(10-2)8-4-6-11-7-5-8/h4-7,9-10H,3H2,1-2H3/t9-/m1/s1
InChIKey: LOFCJGPTBIGJGR-SECBINFHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[C@H](NC)c1ccncc1
OpenEye OEToolkits 3.1.0.0CC[C@@H](c1ccncc1)NC
CACTVS 3.385CC[CH](NC)c1ccncc1
ACDLabs 14.52CNC(CC)c1ccncc1
OpenEye OEToolkits 3.1.0.0CCC(c1ccncc1)NC
Name:(1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine
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).