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BioLiP

PDB CCD ID: MHU
Number of entries in BioLiP: 0
Chemical formula: C12 H18 N2 O2
InChI: InChI=1S/C12H18N2O2/c1-13-11(12(15)16)8-9-4-6-10(7-5-9)14(2)3/h4-7,11,13H,8H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKey: QKRKFUDFXFNQML-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CNC(Cc1ccc(cc1)N(C)C)C(=O)O
ACDLabs 10.04O=C(O)C(NC)Cc1ccc(N(C)C)cc1
OpenEye OEToolkits 1.6.1CN[C@@H](Cc1ccc(cc1)N(C)C)C(=O)O
CACTVS 3.352CN[CH](Cc1ccc(cc1)N(C)C)C(O)=O
CACTVS 3.352CN[C@@H](Cc1ccc(cc1)N(C)C)C(O)=O
Name:4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE
ZINC: ZINC000013346578
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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