SEQ2FUN

BioLiP

PDB CCD ID: KTJ
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N3 O
InChI: InChI=1S/C9H9N3O/c10-9-8(5-11-12-9)6-1-3-7(13)4-2-6/h1-5,13H,(H3,10,11,12)
InChIKey: WRERTDQKTDJJIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1n[nH]cc1c2ccc(O)cc2
ACDLabs 12.01n2c(N)c(c1ccc(O)cc1)cn2
OpenEye OEToolkits 1.7.6c1cc(ccc1c2c[nH]nc2N)O
Name:4-(3-amino-1H-pyrazol-4-yl)phenol
ChEMBL: CHEMBL3806058
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).