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BioLiP

PDB CCD ID: 1QJ
Number of entries in BioLiP: 2
Chemical formula: C15 H12 F N3 O
InChI: InChI=1S/C15H12FN3O/c16-12-3-1-10(2-4-12)15-14(8-18-19-15)11-5-6-17-13(7-11)9-20/h1-8,20H,9H2,(H,18,19)
InChIKey: RKBVIYAYFDBXIL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OCc1cc(ccn1)c2c[nH]nc2c3ccc(F)cc3
OpenEye OEToolkits 1.7.6c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)CO)F
ACDLabs 12.01Fc3ccc(c1nncc1c2ccnc(c2)CO)cc3
Name:{4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-yl}methanol
ZINC: ZINC000095920746
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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