SEQ2FUN

BioLiP

PDB CCD ID: J9N
Number of entries in BioLiP: 2
Chemical formula: C7 H7 N3 S
InChI: InChI=1S/C7H7N3S/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-3H,4H2,(H2,8,10)
InChIKey: NPCGWFCMHOFZHD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc(sc1)c2cc([nH]n2)N
CACTVS 3.385Nc1[nH]nc(c1)c2sccc2
Name:3-thiophen-2-yl-1H-pyrazol-5-amine;
5-amino-3-(2-thienyl)-pyrazole
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).