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BioLiP

PDB CCD ID: FJZ
Number of entries in BioLiP: 1
Chemical formula: C15 H24 N4 S
InChI: InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
InChIKey: QKDDJDBFONZGBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3
CACTVS 3.370S=C(NC1CCCCC1)N2CCC(CC2)c3[nH]cnc3
ACDLabs 12.01S=C(NC1CCCCC1)N3CCC(c2cncn2)CC3
Name:N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
ChEMBL: CHEMBL260374
ZINC: ZINC000013108134
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).
  • 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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