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BioLiP

PDB CCD ID: R8A
Number of entries in BioLiP: 5
Chemical formula: C6 H8 N2 O
InChI: InChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2,(H2,7,8)
InChIKey: FEIACFYXEWBKHU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1nc(N)c(CO)cc1
OpenEye OEToolkits 2.0.6c1cc(c(nc1)N)CO
CACTVS 3.385Nc1ncccc1CO
Name:(2-aminopyridin-3-yl)methanol
ChEMBL: CHEMBL4438468
ZINC: ZINC000019735472
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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