SEQ2FUN

BioLiP

PDB CCD ID: LFB
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O S
InChI: InChI=1S/C10H10N2OS/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H3,11,12)
InChIKey: ZWUNRCDOCDRURS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cccc2c1sc(c2)C(=N)N
CACTVS 3.385COc1cccc2cc(sc12)C(N)=N
OpenEye OEToolkits 2.0.7[H]/N=C(\c1cc2cccc(c2s1)OC)/N
Name:7-methoxy-1-benzothiophene-2-carboximidamide
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).