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BioLiP Library

PDB CCD ID: P57
Number of entries in BioLiP: 1
Chemical formula: C18 H15 N3
InChI: InChI=1S/C18H15N3/c1-2-6-14(7-3-1)18-16(12-21-11-10-19-13-21)15-8-4-5-9-17(15)20-18/h1-11,13,20H,12H2
InChIKey: RFRCCSUYEPHDFA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cccc3c1c(Cn2cncc2)c(n3)c4ccccc4
CACTVS 3.385C(n1ccnc1)c2c([nH]c3ccccc23)c4ccccc4
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2c(c3ccccc3[nH]2)Cn4ccnc4
Name:3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole
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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