SEQ2FUN

BioLiP

PDB CCD ID: TE4
Number of entries in BioLiP: 6
Chemical formula: C15 H24 N2 O2
InChI: InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
InChIKey: GKCBAIGFKIBETG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(OCCN(C)C)c1ccc(NCCCC)cc1
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Name:Tetracaine;
2-(dimethylamino)ethyl 4-(butylamino)benzoate
ChEMBL: CHEMBL698
DrugBank: DB09085
ZINC: ZINC000001530811
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).