BioLiP

PDB

BioLiP

PDB CCD ID:

MHU

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.6.1	CNC(Cc1ccc(cc1)N(C)C)C(=O)O
ACDLabs 10.04	O=C(O)C(NC)Cc1ccc(N(C)C)cc1
OpenEye OEToolkits 1.6.1	CN[C@@H](Cc1ccc(cc1)N(C)C)C(=O)O
CACTVS 3.352	CN[CH](Cc1ccc(cc1)N(C)C)C(O)=O
CACTVS 3.352	CN[C@@H](Cc1ccc(cc1)N(C)C)C(O)=O

Name:

4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE

ZINC:

ZINC000013346578

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).