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BioLiP

PDB CCD ID: OF6
Number of entries in BioLiP: 1
Chemical formula: C11 H11 Cl N2 S
InChI: InChI=1S/C11H11ClN2S/c1-13-6-10-7-15-11(14-10)8-3-2-4-9(12)5-8/h2-5,7,13H,6H2,1H3
InChIKey: YHQACXKNKUPSSA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNCc1csc(n1)c2cccc(Cl)c2
OpenEye OEToolkits 3.1.0.0CNCc1csc(n1)c2cccc(c2)Cl
Name:1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine;
1-(2-(3-chlorophenyl)thiazol-4-yl)-N-methylmethanamine
ZINC: ZINC000012370330
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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