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BioLiP

PDB CCD ID: 1WC
Number of entries in BioLiP: 3
Chemical formula: C10 H9 Cl N2
InChI: InChI=1S/C10H9ClN2/c1-7-9(6-12-13-7)8-4-2-3-5-10(8)11/h2-6H,1H3,(H,12,13)
InChIKey: COMPGPWYKZNXNH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1[nH]ncc1c2ccccc2Cl
OpenEye OEToolkits 1.7.6Cc1c(cn[nH]1)c2ccccc2Cl
ACDLabs 12.01Clc1ccccc1c2c(nnc2)C
Name:4-(2-chlorophenyl)-5-methyl-1H-pyrazole
ChEMBL: CHEMBL1400949
ZINC: ZINC000015923412
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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