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BioLiP

PDB CCD ID: OH4
Number of entries in BioLiP: 1
Chemical formula: C14 H18 N2 O2
InChI: InChI=1S/C14H18N2O2/c1-18-13(11-5-3-2-4-6-11)7-8-14-15-9-12(10-17)16-14/h2-6,9,13,17H,7-8,10H2,1H3,(H,15,16)/t13-/m0/s1
InChIKey: CXHFIZNFHVDWKU-ZDUSSCGKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CO[CH](CCc1[nH]cc(CO)n1)c2ccccc2
CACTVS 3.385CO[C@@H](CCc1[nH]cc(CO)n1)c2ccccc2
OpenEye OEToolkits 2.0.7COC(CCc1[nH]cc(n1)CO)c2ccccc2
ACDLabs 12.01n2c(CCC(c1ccccc1)OC)nc(c2)CO
OpenEye OEToolkits 2.0.7CO[C@@H](CCc1[nH]cc(n1)CO)c2ccccc2
Name:{2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol
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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