SEQ2FUN

BioLiP

PDB CCD ID: G1Y
Number of entries in BioLiP: 1
Chemical formula: C20 H19 N3 O
InChI: InChI=1S/C20H19N3O/c24-20(16-7-2-1-3-8-16)21-13-15-6-4-9-17(12-15)18-14-23-11-5-10-19(23)22-18/h1-4,6-9,12,14H,5,10-11,13H2,(H,21,24)
InChIKey: OHOWMSISBAWFED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NCc1cccc(c1)c3cn2c(CCC2)n3)c4ccccc4
CACTVS 3.385O=C(NCc1cccc(c1)c2cn3CCCc3n2)c4ccccc4
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC4
Name:N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide
ChEMBL: CHEMBL4277278
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).