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BioLiP Library

PDB CCD ID: 7TU
Number of entries in BioLiP: 1
Chemical formula: C38 H34 N4
InChI: InChI=1S/C38H34N4/c1-5-16-31(17-6-1)35-37(33-20-9-3-10-21-33)41(27-39-35)25-29-14-13-15-30(24-29)26-42-28-40-36(32-18-7-2-8-19-32)38(42)34-22-11-4-12-23-34/h1-24,27-28,35-38H,25-26H2/t35-,36-,37-,38-/m0/s1
InChIKey: ZEPLDQLACIWPGK-ZQWQDMLBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)[C@H]2[C@@H](N(C=N2)Cc3cccc(c3)CN4C=N[C@H]([C@@H]4c5ccccc5)c6ccccc6)c7ccccc7
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2C(N(C=N2)Cc3cccc(c3)CN4C=NC(C4c5ccccc5)c6ccccc6)c7ccccc7
CACTVS 3.385C(N1C=N[CH]([CH]1c2ccccc2)c3ccccc3)c4cccc(CN5C=N[CH]([CH]5c6ccccc6)c7ccccc7)c4
CACTVS 3.385C(N1C=N[C@H]([C@@H]1c2ccccc2)c3ccccc3)c4cccc(CN5C=N[C@H]([C@@H]5c6ccccc6)c7ccccc7)c4
Name:(4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole
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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