SEQ2FUN

BioLiP

PDB CCD ID: 1V6
Number of entries in BioLiP: 2
Chemical formula: C16 H14 N2 S
InChI: InChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
InChIKey: XYDVHKCVOMGRSY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N
ACDLabs 12.01n3c(c1ccc(cc1)Cc2ccccc2)csc3N
CACTVS 3.370Nc1scc(n1)c2ccc(Cc3ccccc3)cc2
Name:4-(4-benzylphenyl)-1,3-thiazol-2-amine
ChEMBL: CHEMBL3883608
ZINC: ZINC000003722646
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).