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BioLiP

PDB CCD ID: KWC
Number of entries in BioLiP: 1
Chemical formula: C13 H14 F N3 S
InChI: InChI=1S/C13H14FN3S/c14-11-3-1-10(2-4-11)12-9-18-13(16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChIKey: DZOSNUNUESTDRS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2csc(n2)N3CCNCC3)F
ACDLabs 12.01Fc1ccc(cc1)c1csc(n1)N1CCNCC1
CACTVS 3.385Fc1ccc(cc1)c2csc(n2)N3CCNCC3
Name:1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine
ZINC: ZINC000006658090
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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