SEQ2FUN

BioLiP

PDB CCD ID: Y3L
Number of entries in BioLiP: 4
Chemical formula: C9 H7 Cl N2 O S
InChI: InChI=1S/C9H7ClN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-4H,1H3,(H,11,12,13)
InChIKey: BCQXILHHRAEBLY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)Nc1nc2ccc(cc2s1)Cl
CACTVS 3.385CC(=O)Nc1sc2cc(Cl)ccc2n1
Name:N-(5-CHLORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE
ChEMBL: CHEMBL4556783
ZINC: ZINC000000568692

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).