SEQ2FUN

BioLiP

PDB CCD ID: A1CDT
Number of entries in BioLiP: 3
Chemical formula: C7 H10 N2 O S
InChI: InChI=1S/C7H10N2OS/c8-3-4-9-7(10)6-2-1-5-11-6/h1-2,5H,3-4,8H2,(H,9,10)
InChIKey: HKAFVQQLGBEDEZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52O=C(NCCN)c1cccs1
OpenEye OEToolkits 3.1.0.0c1cc(sc1)C(=O)NCCN
CACTVS 3.385NCCNC(=O)c1sccc1
Name:N-(2-aminoethyl)thiophene-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).