SEQ2FUN

BioLiP

PDB CCD ID: FIY
Number of entries in BioLiP: 1
Chemical formula: C13 H17 N5 O S
InChI: InChI=1S/C13H17N5OS/c1-4-8-10(7(3)19)6(2)16-11(8)9-5-20-13(17-9)18-12(14)15/h5,16H,4H2,1-3H3,(H4,14,15,17,18)
InChIKey: RMIIUQZUCWLAPV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1c(c([nH]c1c2csc(n2)N=C(N)N)C)C(=O)C
CACTVS 3.385CCc1c([nH]c(C)c1C(C)=O)c2csc(N=C(N)N)n2
Name:2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine
ChEMBL: CHEMBL5195335
ZINC: ZINC000049078853
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).