SEQ2FUN

BioLiP

PDB CCD ID: A1CV1
Number of entries in BioLiP: 1
Chemical formula: C12 H14 N2 O
InChI: InChI=1S/C12H14N2O/c1-2-12-10(3-4-13-12)9-11(1)14-5-7-15-8-6-14/h1-4,9,13H,5-8H2
InChIKey: RGNJKFHZEOSSBO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52c1cc(cc2cc[NH]c12)N1CCOCC1
OpenEye OEToolkits 3.1.0.0c1cc2c(cc[nH]2)cc1N3CCOCC3
CACTVS 3.385C1CN(CCO1)c2ccc3[nH]ccc3c2
Name:5-(morpholin-4-yl)-1H-indole
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).