SEQ2FUN

BioLiP

PDB CCD ID: HVU
Number of entries in BioLiP: 1
Chemical formula: C14 H18 N2 O
InChI: InChI=1S/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3
InChIKey: WKNFADCGOAHBPG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CCC(CC1)c2c[nH]c3c2cc(cc3)O
CACTVS 3.385CN1CCC(CC1)c2c[nH]c3ccc(O)cc23
Name:3-(1-methylpiperidin-4-yl)-1H-indol-5-ol
ChEMBL: CHEMBL1371156
ZINC: ZINC000000007339
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).