SEQ2FUN

BioLiP

PDB CCD ID: EFQ
Number of entries in BioLiP: 1
Chemical formula: C16 H19 N3 O3
InChI: InChI=1S/C16H19N3O3/c1-22-14-4-2-11(3-5-14)6-16(21)18-15-9-19(10-17-15)12-7-13(20)8-12/h2-5,9-10,12-13,20H,6-8H2,1H3,(H,18,21)/t12-,13+
InChIKey: SVPUOZWGAJVQMQ-BETUJISGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352COc1ccc(CC(=O)Nc2cn(cn2)[CH]3C[CH](O)C3)cc1
ACDLabs 11.02O=C(Nc1ncn(c1)C2CC(O)C2)Cc3ccc(OC)cc3
OpenEye OEToolkits 1.7.0COc1ccc(cc1)CC(=O)Nc2cn(cn2)C3CC(C3)O
CACTVS 3.352COc1ccc(CC(=O)Nc2cn(cn2)[C@H]3C[C@@H](O)C3)cc1
Name:N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide
ChEMBL: CHEMBL571781
ZINC: ZINC000100752264
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).