SEQ2FUN

BioLiP

PDB CCD ID: K3P
Number of entries in BioLiP: 8
Chemical formula: C8 H7 Cl N4 O
InChI: InChI=1S/C8H7ClN4O/c1-13-4-6(2-12-13)14-8-7(9)3-10-5-11-8/h2-5H,1H3
InChIKey: JGBBXYYBQPDVEM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cn1cc(cn1)Oc2c(cncn2)Cl
CACTVS 3.385Cn1cc(Oc2ncncc2Cl)cn1
ACDLabs 12.01n1c(c(cnc1)Cl)Oc2cnn(C)c2
Name:5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine
ZINC: ZINC000225712801
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).