SEQ2FUN

BioLiP

PDB CCD ID: N95
Number of entries in BioLiP: 3
Chemical formula: C7 H6 B Cl N4 O2
InChI: InChI=1S/C7H6BClN4O2/c9-6-1-7(11-4-10-6)13-3-5(2-12-13)8(14)15/h1-4,14-15H
InChIKey: FINXKFQNFLSJBL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6B(c1cnn(c1)c2cc(ncn2)Cl)(O)O
ACDLabs 12.01Clc1ncnc(c1)n2ncc(c2)B(O)O
CACTVS 3.385OB(O)c1cnn(c1)c2cc(Cl)ncn2
Name:[1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid
ChEMBL: CHEMBL5274236
ZINC: ZINC000169903823
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).