SEQ2FUN

BioLiP

PDB CCD ID: A1AY0
Number of entries in BioLiP: 1
Chemical formula: C9 H14 N2 O S
InChI: InChI=1S/C9H14N2OS/c1-9(2,3)6-4-5(10)7(13-6)8(11)12/h4H,10H2,1-3H3,(H2,11,12)
InChIKey: MKHZJBZWKNDDCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Nc1cc(sc1C(=O)N)C(C)(C)C
CACTVS 3.385CC(C)(C)c1sc(C(N)=O)c(N)c1
OpenEye OEToolkits 2.0.7CC(C)(C)c1cc(c(s1)C(=O)N)N
Name:3-amino-5-tert-butylthiophene-2-carboxamide
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).