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BioLiP

PDB CCD ID: SGK
Number of entries in BioLiP: 0
Chemical formula: C8 H10 N2 O2
InChI: InChI=1S/C8H10N2O2/c11-8(12)6-9-5-7-3-1-2-4-10-7/h1-4,9H,5-6H2,(H,11,12)
InChIKey: MDMCWJVDDJDEGI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CNCc1ccccn1
OpenEye OEToolkits 2.0.7c1ccnc(c1)CNCC(=O)O
Name:2-(pyridin-2-ylmethylamino)ethanoic acid
ZINC: ZINC000021953256
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)(download the PDF file).
  • 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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