SEQ2FUN

BioLiP

PDB CCD ID: SZ7
Number of entries in BioLiP: 5
Chemical formula: C9 H10 N2 O S
InChI: InChI=1S/C9H10N2OS/c12-9(7-3-4-7)11-10-6-8-2-1-5-13-8/h1-2,5-7H,3-4H2,(H,11,12)/b10-6+
InChIKey: WQCIBERJKZYXCC-UXBLZVDNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(NN=Cc1sccc1)C2CC2
CACTVS 3.385O=C(N/N=C/c1sccc1)C2CC2
OpenEye OEToolkits 2.0.6c1cc(sc1)/C=N/NC(=O)C2CC2
OpenEye OEToolkits 2.0.6c1cc(sc1)C=NNC(=O)C2CC2
Name:~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide
ZINC: ZINC000000438924
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).