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BioLiP

PDB CCD ID: 502
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N4 O3
InChI: InChI=1S/C11H16N4O3/c1-2-18-10(16)7-15-11(17)14-6-8-3-4-13-9(12)5-8/h3-5H,2,6-7H2,1H3,(H2,12,13)(H2,14,15,17)
InChIKey: HBRFEPDAWBTTTH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOC(=O)CNC(=O)NCc1ccnc(N)c1
ACDLabs 12.01C(NC(NCC(=O)OCC)=O)c1ccnc(c1)N
OpenEye OEToolkits 1.9.2CCOC(=O)CNC(=O)NCc1ccnc(c1)N
Name:ethyl N-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate
ZINC: ZINC000584905125
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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