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BioLiP

PDB CCD ID: PX9
Number of entries in BioLiP: 6
Chemical formula: C17 H27 N O3
InChI: InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3
InChIKey: DQKXQSGTHWVTAD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCOc1ccc(OCCCN2CCOCC2)cc1
OpenEye OEToolkits 1.9.2CCCCOc1ccc(cc1)OCCCN2CCOCC2
ACDLabs 12.01O(c2ccc(OCCCN1CCOCC1)cc2)CCCC
Name:Pramocaine
ChEMBL: CHEMBL1198
DrugBank: DB09345
ZINC: ZINC000019594594
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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