SEQ2FUN

BioLiP

PDB CCD ID: KI3
Number of entries in BioLiP: 3
Chemical formula: C15 H12 N2 O2 S
InChI: InChI=1S/C15H12N2O2S/c1-8-7-10(18)17-15-11(8)12(16)14(20-15)13(19)9-5-3-2-4-6-9/h2-7H,16H2,1H3,(H,17,18)
InChIKey: PNCPOBGZUHFDDF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1cc(nc2c1c(c(s2)C(=O)c3ccccc3)N)O
ACDLabs 12.01Oc1nc2c(c(c1)C)c(c(s2)C(c3ccccc3)=O)N
CACTVS 3.385Cc1cc(O)nc2sc(c(N)c12)C(=O)c3ccccc3
Name:3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol
ZINC: ZINC000009065200
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).