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BioLiP

PDB CCD ID: LUY
Number of entries in BioLiP: 5
Chemical formula: C15 H15 N3
InChI: InChI=1S/C15H15N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H2,16,17,18)
InChIKey: OWETVOGOOABRTJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)CCNc2[nH]c3ccccc3n2
CACTVS 3.385C(Cc1ccccc1)Nc2[nH]c3ccccc3n2
Name:~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine
ZINC: ZINC000000513006
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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