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BioLiP

PDB CCD ID: LL2
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 S
InChI: InChI=1S/C10H10N2S/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12)
InChIKey: FJIMLXBJUVLMMN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1cc(sc1N)Cc2ccccc2
CACTVS 3.341Nc1sc(Cc2ccccc2)cn1
OpenEye OEToolkits 1.5.0c1ccc(cc1)Cc2cnc(s2)N
Name:5-benzyl-1,3-thiazol-2-amine;
5-Benzyl-thiazol-2-ylmaine
ChEMBL: CHEMBL1234033
DrugBank: DB08114
ZINC: ZINC000000063264
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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