SEQ2FUN

BioLiP

PDB CCD ID: IK1
Number of entries in BioLiP: 2
Chemical formula: C12 H11 N3 O2 S
InChI: InChI=1S/C12H11N3O2S/c13-10(16)8-6-9(7-4-2-1-3-5-7)18-11(8)15-12(14)17/h1-6H,(H2,13,16)(H3,14,15,17)
InChIKey: PSVUSJKZJQMCSP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N
ACDLabs 12.01O=C(Nc1sc(cc1C(=O)N)c2ccccc2)N
CACTVS 3.385NC(=O)Nc1sc(cc1C(N)=O)c2ccccc2
Name:5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE
ChEMBL: CHEMBL404609
ZINC: ZINC000022065874
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).