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BioLiP

PDB CCD ID: GZP
Number of entries in BioLiP: 1
Chemical formula: C14 H16 N2 O
InChI: InChI=1S/C14H16N2O/c17-14(8-4-5-9-14)13-10-12(15-16-13)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2,(H,15,16)
InChIKey: GKHXBOMLCZWNOE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC1(CCCC1)c2cc([nH]n2)c3ccccc3
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O
Name:1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL
ZINC: ZINC000230472592
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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