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BioLiP Library

PDB CCD ID: ZFP
Number of entries in BioLiP: 3
Chemical formula: C17 H19 N S
InChI: InChI=1S/C17H19NS/c1-3-13(2)16-9-10-17(19-16)14-5-7-15(8-6-14)18-11-4-12-18/h3,5-10H,4,11-12H2,1-2H3/b13-3+
InChIKey: UJDWZSVKXHLFTM-QLKAYGNNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N3CCC3
CACTVS 3.385CC=C(C)c1sc(cc1)c2ccc(cc2)N3CCC3
OpenEye OEToolkits 2.0.7CC=C(C)c1ccc(s1)c2ccc(cc2)N3CCC3
CACTVS 3.385C/C=C(C)/c1sc(cc1)c2ccc(cc2)N3CCC3
ACDLabs 12.01C/C(=C\C)c1ccc(s1)c1ccc(cc1)N1CCC1
Name:1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine
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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