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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: SNP
Number of entries in BioLiP: 8
Chemical formula: C16 H21 N O2
InChI: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
InChIKey: AQHHHDLHHXJYJD-AWEZNQCLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)NC[CH](O)COc1cccc2ccccc12
OpenEye OEToolkits 1.5.0CC(C)NC[C@@H](COc1cccc2c1cccc2)O
CACTVS 3.341CC(C)NC[C@H](O)COc1cccc2ccccc12
OpenEye OEToolkits 1.5.0CC(C)NCC(COc1cccc2c1cccc2)O
ACDLabs 10.04OC(CNC(C)C)COc2cccc1ccccc12
Name:1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL;
S-PROPRANOLOL
ChEMBL: CHEMBL452861
ZINC: ZINC000000056556

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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