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BioLiP

PDB CCD ID: UXG
Number of entries in BioLiP: 7
Chemical formula: C16 H17 N O
InChI: InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2
InChIKey: MMAJXKGUZYDTHV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(ccccc1)C(c2ccccc2)N3CC(C3)O
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(c2ccccc2)N3CC(C3)O
CACTVS 3.385OC1CN(C1)C(c2ccccc2)c3ccccc3
Name:1-(diphenylmethyl)azetidin-3-ol
ChEMBL: CHEMBL3763552
ZINC: ZINC000000133425
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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