SEQ2FUN

BioLiP

PDB CCD ID: 02D
Number of entries in BioLiP: 0
Chemical formula: C6 H9 N3 S
InChI: InChI=1S/C6H9N3S/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3,7H2,(H3,8,9)
InChIKey: BOBPPWFJOKHRKZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(sc1CN)C(=N)N
CACTVS 3.370NCc1sc(cc1)C(N)=N
OpenEye OEToolkits 1.7.0[H]/N=C(/c1ccc(s1)CN)\N
ACDLabs 12.01[N@H]=C(N)c1sc(cc1)CN
Name:5-(aminomethyl)thiophene-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).