SEQ2FUN

BioLiP

PDB CCD ID: A1EG8
Number of entries in BioLiP: 1
Chemical formula: C12 H16 N2 O
InChI: InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
InChIKey: VTTONGPRPXSUTJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)CCc1c[nH]c2ccc(O)cc12
OpenEye OEToolkits 2.0.7CN(C)CCc1c[nH]c2c1cc(cc2)O
Name:Bufotenin;
N,N-Dimethyl-5-hydroxytryptamine
ChEMBL: CHEMBL416526
DrugBank: DB01445
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).