SEQ2FUN

BioLiP

PDB CCD ID: T9S
Number of entries in BioLiP: 5
Chemical formula: C10 H12 N2 O2
InChI: InChI=1S/C10H12N2O2/c1-2-14-10(13)12-6-8-3-4-11-5-9(8)7-12/h3-5H,2,6-7H2,1H3
InChIKey: NXDYQBHSITTWJS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCOC(=O)N1Cc2ccncc2C1
ACDLabs 12.01c21CN(Cc1cncc2)C(=O)OCC
Name:ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate
ZINC: ZINC000071791758
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).