SEQ2FUN

BioLiP

PDB CCD ID: WQ7
Number of entries in BioLiP: 1
Chemical formula: C7 H10 N2 O
InChI: InChI=1S/C7H10N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6,8H2
InChIKey: IZSOENLZRWXCER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NCCN1C(C=CC=C1)=O
OpenEye OEToolkits 2.0.7C1=CC(=O)N(C=C1)CCN
CACTVS 3.385NCCN1C=CC=CC1=O
Name:1-(2-aminoethyl)pyridin-2(1H)-one
ChEMBL: CHEMBL4578665
ZINC: ZINC000022220049
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).