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BioLiP

PDB CCD ID: FMQ
Number of entries in BioLiP: 8
Chemical formula: C11 H11 F N2 O
InChI: InChI=1S/C11H11FN2O/c1-8-9(7-15)6-13-14(8)11-4-2-10(12)3-5-11/h2-6,15H,7H2,1H3
InChIKey: QJPGMVFNIWHOIY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(cnn1c2ccc(cc2)F)CO
CACTVS 3.370Cc1n(ncc1CO)c2ccc(F)cc2
ACDLabs 12.01Fc1ccc(cc1)n2ncc(c2C)CO
Name:[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
ChEMBL: CHEMBL2326883
ZINC: ZINC000000161957
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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