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BioLiP

PDB CCD ID: BU5
Number of entries in BioLiP: 1
Chemical formula: C11 H9 N3 O S
InChI: InChI=1S/C11H9N3OS/c15-5-7-6-16-11(14-7)9-2-4-13-10-8(9)1-3-12-10/h1-4,6,15H,5H2,(H,12,13)
InChIKey: DEQVBJXGQZCGGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1csc(n1)c2ccnc3[nH]ccc23
OpenEye OEToolkits 2.0.6c1c[nH]c2c1c(ccn2)c3nc(cs3)CO
Name:[2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
ChEMBL: CHEMBL4446950
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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