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BioLiP

PDB CCD ID: 92G
Number of entries in BioLiP: 3
Chemical formula: C9 H8 N2 O S
InChI: InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H,(H2,10,11)
InChIKey: QGSJYYIRAFRPIT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1scc(n1)c2ccc(O)cc2
OpenEye OEToolkits 1.5.0c1cc(ccc1c2csc(n2)N)O
ACDLabs 10.04n2c(c1ccc(O)cc1)csc2N
Name:4-(2-amino-1,3-thiazol-4-yl)phenol
ChEMBL: CHEMBL483790
DrugBank: DB07292
ZINC: ZINC000016951624
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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