SEQ2FUN

BioLiP

PDB CCD ID: 2A1
Number of entries in BioLiP: 6
Chemical formula: C3 H9 N O
InChI: InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
InChIKey: BKMMTJMQCTUHRP-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[C@@H](CO)N
CACTVS 3.352C[CH](N)CO
OpenEye OEToolkits 1.7.0CC(CO)N
CACTVS 3.352C[C@H](N)CO
Name:(2S)-2-aminopropan-1-ol
ChEMBL: CHEMBL1229871
ZINC: ZINC000001576782
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).