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BioLiP Library

PDB CCD ID: TMI
Number of entries in BioLiP: 3
Chemical formula: C22 H18 N2
InChI: InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H/t22-/m0/s1
InChIKey: OCAPBUJLXMYKEJ-QFIPXVFZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4
ACDLabs 10.04n1ccn(c1)C(c3ccc(c2ccccc2)cc3)c4ccccc4
CACTVS 3.341c1ccc(cc1)[C@H](n2ccnc2)c3ccc(cc3)c4ccccc4
CACTVS 3.341c1ccc(cc1)[CH](n2ccnc2)c3ccc(cc3)c4ccccc4
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2ccc(cc2)C(c3ccccc3)n4ccnc4
Name:1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE;
BIFONAZOLE
ZINC: ZINC000003812958
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)(download the PDF file).
  • 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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