SEQ2FUN

BioLiP

PDB CCD ID: WBX
Number of entries in BioLiP: 1
Chemical formula: C10 H15 N3 O2 S
InChI: InChI=1S/C10H15N3O2S/c1-15-9(14)8-12-3-5-13(6-4-12)10-11-2-7-16-10/h2,7H,3-6,8H2,1H3
InChIKey: SKRDEVBPVBDTKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COC(=O)CN1CCN(CC1)c2nccs2
ACDLabs 12.01O=C(OC)CN1CCN(CC1)c1nccs1
CACTVS 3.385COC(=O)CN1CCN(CC1)c2sccn2
Name:methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate
ZINC: ZINC000020362461
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).