SEQ2FUN

BioLiP

PDB CCD ID: 3TG
Number of entries in BioLiP: 2
Chemical formula: C19 H18 N2 O
InChI: InChI=1S/C19H18N2O/c22-18(14-21-12-11-20-15-21)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2
InChIKey: SRAWFXXOZVYZRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc(cc1)C(CC(=O)Cn2ccnc2)c3ccccc3
ACDLabs 12.01
CACTVS 3.370		O=C(CC(c1ccccc1)c2ccccc2)Cn3ccnc3
Name:1-(1H-imidazol-1-yl)-4,4-diphenylbutan-2-one
ChEMBL: CHEMBL4166126
ZINC: ZINC000095920840
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • 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).