SEQ2FUN

BioLiP

PDB CCD ID: LEN
Number of entries in BioLiP: 2
Chemical formula: C5 H13 N
InChI: InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
InChIKey: BMFVGAAISNGQNM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CC(C)CCN
ACDLabs 12.01NCCC(C)C
Name:3-METHYLBUTAN-1-AMINE
ChEMBL: CHEMBL42003
ZINC: ZINC000004658584
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).