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BioLiP

PDB CCD ID: 0D8
Number of entries in BioLiP: 5
Chemical formula: C3 H9 N O
InChI: InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
InChIKey: WUGQZFFCHPXWKQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CN)CO
ACDLabs 12.01OCCCN
CACTVS 3.370NCCCO
Name:3-aminopropan-1-ol
ChEMBL: CHEMBL115530
ZINC: ZINC000001688359
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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