SEQ2FUN

BioLiP

PDB CCD ID: PZZ
Number of entries in BioLiP: 3
Chemical formula: C14 H20 N2 O
InChI: InChI=1S/C14H20N2O/c1-16(2)10-12-9-15-14-11(6-4-8-17)5-3-7-13(12)14/h3,5,7,9,15,17H,4,6,8,10H2,1-2H3
InChIKey: KKQDXWHOFSMCSA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)Cc1c[nH]c2c1cccc2CCCO
CACTVS 3.341CN(C)Cc1c[nH]c2c(CCCO)cccc12
ACDLabs 10.04OCCCc1cccc2c1ncc2CN(C)C
Name:3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL
DrugBank: DB08447
ZINC: ZINC000016052442
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).