BioLiP

PDB

BioLiP

PDB CCD ID:

MPQ

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O2

InChI:

InChI=1S/C9H11NO2/c1-10-8(9(11)12)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)/t8-/m0/s1

InChIKey:

HGIPIEYZJPULIQ-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CN[C@H](C(O)=O)c1ccccc1
ACDLabs 12.01	O=C(O)C(NC)c1ccccc1
OpenEye OEToolkits 1.7.0	CNC(c1ccccc1)C(=O)O
OpenEye OEToolkits 1.7.0	CN[C@@H](c1ccccc1)C(=O)O
CACTVS 3.370	CN[CH](C(O)=O)c1ccccc1

Name:

N-METHYL-ALPHA-PHENYL-GLYCINE;
METHYLAMINO-PHENYL-ACETIC ACID

ZINC:

ZINC000008076474

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).