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BioLiP

PDB CCD ID: 2A3
Number of entries in BioLiP: 2
Chemical formula: C3 H9 N O
InChI: InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m1/s1
InChIKey: BKMMTJMQCTUHRP-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OCC(N)C
CACTVS 3.370C[C@@H](N)CO
CACTVS 3.370C[CH](N)CO
OpenEye OEToolkits 1.7.0CC(CO)N
OpenEye OEToolkits 1.7.0C[C@H](CO)N
Name:(2R)-2-aminopropan-1-ol
ZINC: ZINC000002004611
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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