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BioLiP

PDB CCD ID: O1Z
Number of entries in BioLiP: 1
Chemical formula: C20 H21 N3 O S
InChI: InChI=1S/C20H21N3OS/c21-19-18(25-20(23-19)22-16-8-2-1-3-9-16)17(24)15-11-10-13-6-4-5-7-14(13)12-15/h4-7,10-12,16H,1-3,8-9,21H2,(H,22,23)
InChIKey: SVWJDTLRFATPCQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1sc(nc1N)NC2CCCCC2)c4cc3ccccc3cc4
OpenEye OEToolkits 1.7.0c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)NC4CCCCC4)N
CACTVS 3.370Nc1nc(NC2CCCCC2)sc1C(=O)c3ccc4ccccc4c3
Name:[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
ZINC: ZINC000095920920
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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