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BioLiP

PDB CCD ID: JW9
Number of entries in BioLiP: 3
Chemical formula: C20 H21 N O
InChI: InChI=1S/C20H21NO/c1-15(21(2)14-16-10-12-18(22)13-11-16)19-9-5-7-17-6-3-4-8-20(17)19/h3-13,15,22H,14H2,1-2H3/t15-/m1/s1
InChIKey: QFTKMDZKABQMHI-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H](c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O
CACTVS 3.385C[CH](N(C)Cc1ccc(O)cc1)c2cccc3ccccc23
ACDLabs 12.01Oc1ccc(CN(C)C(C)c2cccc3ccccc32)cc1
CACTVS 3.385C[C@@H](N(C)Cc1ccc(O)cc1)c2cccc3ccccc23
OpenEye OEToolkits 2.0.7CC(c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O
Name:4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol
ChEMBL: CHEMBL5173886
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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