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BioLiP

PDB CCD ID: OJ8
Number of entries in BioLiP: 2
Chemical formula: C25 H22 N2 O3
InChI: InChI=1S/C25H22N2O3/c28-24(25-27-16-23(30-25)22-8-4-5-13-26-22)19-10-9-18-15-21(12-11-17(18)14-19)29-20-6-2-1-3-7-20/h1-8,11-13,15-16,19,24,28H,9-10,14H2/t19-,24-/m0/s1
InChIKey: HNDDBEODXBNDLJ-CYFREDJKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)Oc2ccc3c(c2)CCC(C3)C(c4ncc(o4)c5ccccn5)O
ACDLabs 12.01n5c(c1oc(nc1)C(O)C4Cc3ccc(Oc2ccccc2)cc3CC4)cccc5
CACTVS 3.370O[C@@H]([C@H]1CCc2cc(Oc3ccccc3)ccc2C1)c4oc(cn4)c5ccccn5
OpenEye OEToolkits 1.7.0c1ccc(cc1)Oc2ccc3c(c2)CC[C@@H](C3)[C@@H](c4ncc(o4)c5ccccn5)O
CACTVS 3.370O[CH]([CH]1CCc2cc(Oc3ccccc3)ccc2C1)c4oc(cn4)c5ccccn5
Name:(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol
ZINC: ZINC000066166398
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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