SEQ2FUN

BioLiP

PDB CCD ID: M3H
Number of entries in BioLiP: 1
Chemical formula: C9 H10 N2
InChI: InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)
InChIKey: BKCCAYLNRIRKDJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2=NCCN2
CACTVS 3.385C1CN=C(N1)c2ccccc2
Name:2-phenyl-4,5-dihydro-1~{H}-imidazole
ChEMBL: CHEMBL274548
ZINC: ZINC000000154435

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).