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BioLiP Library

PDB CCD ID: A1AZL
Number of entries in BioLiP: 0
Chemical formula: C21 H24 N6 O
InChI: InChI=1S/C21H24N6O/c22-9-13-27-14-12-25-20(27)16-1-3-17(4-2-16)21(28)26-18-7-5-15(6-8-18)19-23-10-11-24-19/h1-8H,9-14,22H2,(H,23,24)(H,26,28)
InChIKey: MIXOGBPRHWAMGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NCCN1CCN=C1c1ccc(cc1)C(=O)Nc1ccc(cc1)C1=NCCN1
OpenEye OEToolkits 2.0.7c1cc(ccc1C2=NCCN2CCN)C(=O)Nc3ccc(cc3)C4=NCCN4
CACTVS 3.385NCCN1CCN=C1c2ccc(cc2)C(=O)Nc3ccc(cc3)C4=NCCN4
Name:4-[1-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide
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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