SEQ2FUN

BioLiP

PDB CCD ID: 0F9
Number of entries in BioLiP: 1
Chemical formula: C9 H7 Cl N2 O
InChI: InChI=1S/C9H7ClN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChIKey: DMGLUMYOLOAXJY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Oc1ccc(Cl)cc1c2cc[nH]n2
OpenEye OEToolkits 1.7.6c1cc(c(cc1Cl)c2cc[nH]n2)O
ACDLabs 12.01Clc2ccc(O)c(c1nncc1)c2
Name:4-chloro-2-(1H-pyrazol-3-yl)phenol
ChEMBL: CHEMBL2032374
ZINC: ZINC000091684260
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).