SEQ2FUN

BioLiP

PDB CCD ID: 31L
Number of entries in BioLiP: 1
Chemical formula: C18 H21 N O3
InChI: InChI=1S/C18H21NO3/c1-13-11-15(12-17(21-2)18(13)20)14-3-5-16(6-4-14)19-7-9-22-10-8-19/h3-6,11-12,20H,7-10H2,1-2H3
InChIKey: LUWYUXWJRQRONA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1cc(cc(c1O)OC)c2ccc(cc2)N3CCOCC3
CACTVS 3.385COc1cc(cc(C)c1O)c2ccc(cc2)N3CCOCC3
ACDLabs 12.01Oc1c(cc(cc1OC)c3ccc(N2CCOCC2)cc3)C
Name:3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol
ZINC: ZINC000098208372
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).