SEQ2FUN

BioLiP

PDB CCD ID: TB5
Number of entries in BioLiP: 1
Chemical formula: C14 H16 N2 O
InChI: InChI=1S/C14H16N2O/c1-2-8-15(7-1)13-3-5-14(6-4-13)16-9-11-17-12-10-16/h1-8H,9-12H2
InChIKey: VJGOAQUQJGASLY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccn(c1)c2ccc(cc2)N3CCOCC3
CACTVS 3.385C1CN(CCO1)c2ccc(cc2)n3cccc3
Name:4-(4-pyrrol-1-ylphenyl)morpholine;
4-[4-(1H-pyrrol-1-yl)phenyl]morpholine
ChEMBL: CHEMBL1496177
ZINC: ZINC000000452948
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).