SEQ2FUN

BioLiP

PDB CCD ID: A1BYW
Number of entries in BioLiP: 1
Chemical formula: C13 H8 N4 O S
InChI: InChI=1S/C13H8N4OS/c18-8-2-3-10-11(6-8)19-13(16-10)9-7-15-17-5-1-4-14-12(9)17/h1-7,18H
InChIKey: NZNYDSCZDDLISB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc2nc(sc2c1)c3cnn4cccnc34
OpenEye OEToolkits 3.1.0.0c1cnc2c(cnn2c1)c3nc4ccc(cc4s3)O
ACDLabs 14.52Oc1ccc2nc(sc2c1)c1cnn2cccnc21
Name:2-[(8R)-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-benzothiazol-6-ol
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).