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BioLiP

PDB CCD ID: VTD
Number of entries in BioLiP: 1
Chemical formula: C10 H9 Cl N2
InChI: InChI=1S/C10H9ClN2/c1-7-5-10(13-12-7)8-3-2-4-9(11)6-8/h2-6H,1H3,(H,12,13)
InChIKey: KOMMMAVILXYEJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1[nH]nc(c1)c2cccc(Cl)c2
OpenEye OEToolkits 2.0.7Cc1cc(n[nH]1)c2cccc(c2)Cl
ACDLabs 12.01c1(cc(C)nn1)c2cc(ccc2)Cl
Name:3-(3-chlorophenyl)-5-methyl-1H-pyrazole
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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