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BioLiP

PDB CCD ID: 8TZ
Number of entries in BioLiP: 1
Chemical formula: C13 H15 F N2 O
InChI: InChI=1S/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1
InChIKey: IDFPQEHZYBXIFO-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCc1cc(F)ccc1[CH](O)c2[nH]ccn2
CACTVS 3.385CCCc1cc(F)ccc1[C@H](O)c2[nH]ccn2
OpenEye OEToolkits 2.0.6CCCc1cc(ccc1[C@@H](c2[nH]ccn2)O)F
OpenEye OEToolkits 2.0.6CCCc1cc(ccc1C(c2[nH]ccn2)O)F
Name:(~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
ChEMBL: CHEMBL4127372
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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