SEQ2FUN

BioLiP

PDB CCD ID: A1CS1
Number of entries in BioLiP: 1
Chemical formula: C10 H12 N2 O2
InChI: InChI=1S/C10H12N2O2/c13-8-3-1-7(2-4-8)9-10(14)12-6-5-11-9/h1-4,9,11,13H,5-6H2,(H,12,14)/t9-/m0/s1
InChIKey: ADKIVUSTQMRGNM-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)[C@@H]2NCCNC2=O
ACDLabs 14.52O=C1NCCNC1c1ccc(O)cc1
OpenEye OEToolkits 3.1.0.0c1cc(ccc1C2C(=O)NCCN2)O
CACTVS 3.385Oc1ccc(cc1)[CH]2NCCNC2=O
Name:(3S)-3-(4-hydroxyphenyl)piperazin-2-one
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).