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BioLiP

PDB CCD ID: LNJ
Number of entries in BioLiP: 3
Chemical formula: C17 H16 N2 O S
InChI: InChI=1S/C17H16N2OS/c1-20-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)16-11-21-17(18)19-16/h2-9,11H,10H2,1H3,(H2,18,19)
InChIKey: GGCCOFFVKJCRKJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2cc(c1nc(sc1)N)ccc2Cc3ccc(cc3)OC
CACTVS 3.385COc1ccc(Cc2ccc(cc2)c3csc(N)n3)cc1
OpenEye OEToolkits 2.0.7COc1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N
Name:4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
ChEMBL: CHEMBL4476527
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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