SEQ2FUN

BioLiP

PDB CCD ID: A1BYV
Number of entries in BioLiP: 2
Chemical formula: C7 H6 N2 O S
InChI: InChI=1S/C7H6N2OS/c8-7-9-6(4-11-7)5-1-2-10-3-5/h1-4H,(H2,8,9)
InChIKey: WPZVPERRFWQXFN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52Nc1nc(cs1)c1cocc1
OpenEye OEToolkits 3.1.0.0c1cocc1c2csc(n2)N
CACTVS 3.385Nc1scc(n1)c2cocc2
Name:(4P)-4-(furan-3-yl)-1,3-thiazol-2-amine
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).