SEQ2FUN

BioLiP

PDB CCD ID: 2PM
Number of entries in BioLiP: 3
Chemical formula: C17 H21 N O
InChI: InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKey: ZZVUWRFHKOJYTH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(CCN(C)C)C(c1ccccc1)c2ccccc2
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CN(C)CCOC(c1ccccc1)c2ccccc2
Name:N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE;
DIPHENHYDRAMINE;
ANTISTOMINUM;
BENZHYDRAMINE
ChEMBL: CHEMBL657
DrugBank: DB01075
ZINC: ZINC000000020244
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).