BioLiP

PDB

BioLiP

PDB CCD ID:

4PH

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O2

InChI:

InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1

InChIKey:

DQLHSFUMICQIMB-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.370	Cc1ccc(C[CH](N)C(O)=O)cc1
OpenEye OEToolkits 1.7.0	Cc1ccc(cc1)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.0	Cc1ccc(cc1)CC(C(=O)O)N
CACTVS 3.370	Cc1ccc(C[C@H](N)C(O)=O)cc1
ACDLabs 12.01	O=C(O)C(N)Cc1ccc(cc1)C

Name:

4-methyl-L-phenylalanine

ChEMBL:

CHEMBL1230319

ZINC:

ZINC000001570979

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).