SEQ2FUN

BioLiP

PDB CCD ID: 55D
Number of entries in BioLiP: 2
Chemical formula: C9 H12 N2 O2 S
InChI: InChI=1S/C9H12N2O2S/c1-2-3-7(12)11-9-6(8(10)13)4-5-14-9/h4-5H,2-3H2,1H3,(H2,10,13)(H,11,12)
InChIKey: QFUOJZBSCYPNSJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCC(=O)Nc1c(ccs1)C(=O)N
CACTVS 3.385CCCC(=O)Nc1sccc1C(N)=O
ACDLabs 12.01O=C(CCC)Nc1sccc1C(N)=O
Name:2-(butanoylamino)thiophene-3-carboxamide
ChEMBL: CHEMBL3759276
ZINC: ZINC000004275768
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).