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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: 8QO
Number of entries in BioLiP: 4
Chemical formula: C11 H14 N2 O2
InChI: InChI=1S/C11H14N2O2/c1-7-6-12-11(13-7)9-4-3-8(15-2)5-10(9)14/h3-5,7,14H,6H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKey: GSHCIAWYWVRHMS-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@@H]1CN=C(N1)c2ccc(cc2O)OC
CACTVS 3.385COc1ccc(c(O)c1)C2=NC[CH](C)N2
CACTVS 3.385COc1ccc(c(O)c1)C2=NC[C@@H](C)N2
OpenEye OEToolkits 2.0.6CC1CN=C(N1)c2ccc(cc2O)OC
Name:5-methoxy-2-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenol
ZINC: ZINC000005530265

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)(download the PDF file).
  • 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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