SEQ2FUN

BioLiP

PDB CCD ID: RRA
Number of entries in BioLiP: 0
Chemical formula: C3 H5 N
InChI: InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2
InChIKey: JKANAVGODYYCQF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCC#C
ACDLabs 12.01
OpenEye OEToolkits 1.7.2		C#CCN
Name:prop-2-yn-1-amine
ChEMBL: CHEMBL3263480
ZINC: ZINC000032098729
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).