SEQ2FUN

BioLiP

PDB CCD ID: RSV
Number of entries in BioLiP: 1
Chemical formula: C13 H10 N2 S
InChI: InChI=1S/C13H10N2S/c14-13-4-2-10-7-9(1-3-12(10)15-13)11-5-6-16-8-11/h1-8H,(H2,14,15)
InChIKey: SKHMHSCEONTQTF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1cc(nc2c1cc(cc2)c3ccsc3)N
ACDLabs 12.01n3c2ccc(c1ccsc1)cc2ccc3N
CACTVS 3.370Nc1ccc2cc(ccc2n1)c3cscc3
Name:6-(thiophen-3-yl)quinolin-2-amine
ChEMBL: CHEMBL1821801
ZINC: ZINC000072179642
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).