SEQ2FUN

BioLiP

PDB CCD ID: PXM
Number of entries in BioLiP: 7
Chemical formula: C8 H12 N2 O2
InChI: InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
InChIKey: NHZMQXZHNVQTQA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)CO)CN)O
ACDLabs 10.04Oc1c(c(cnc1C)CO)CN
CACTVS 3.341Cc1ncc(CO)c(CN)c1O
Name:4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL;
PYRIDOXAMINE
ChEMBL: CHEMBL593019
DrugBank: DB11673
ZINC: ZINC000034926229
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).