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BioLiP

PDB CCD ID: 2ZU
Number of entries in BioLiP: 1
Chemical formula: C18 H14 N2 O S
InChI: InChI=1S/C18H14N2OS/c1-12-19-17-10-15(8-9-18(17)22-12)21-11-14-7-6-13-4-2-3-5-16(13)20-14/h2-10H,11H2,1H3
InChIKey: DZPJYJCYZZYODA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1sc2ccc(OCc3ccc4ccccc4n3)cc2n1
OpenEye OEToolkits 1.7.6Cc1nc2cc(ccc2s1)OCc3ccc4ccccc4n3
ACDLabs 12.01n3c4cc(OCc1nc2c(cc1)cccc2)ccc4sc3C
Name:2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline
ChEMBL: CHEMBL4453729
ZINC: ZINC000098208364
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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