SEQ2FUN

BioLiP

PDB CCD ID: 6U6
Number of entries in BioLiP: 2
Chemical formula: C10 H8 Cl N O2 S
InChI: InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKey: UMBLVHSXXWQLDL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1cc2c(cc1Cl)nc(s2)CCC(=O)O
CACTVS 3.385OC(=O)CCc1sc2ccc(Cl)cc2n1
Name:3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid
ChEMBL: CHEMBL4069423
ZINC: ZINC000004219237
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).