BioLiP

PDB

BioLiP

PDB CCD ID:

22G

Number of entries in BioLiP:

Chemical formula:

C18 H22 N2 O3

InChI:

InChI=1S/C18H22N2O3/c19-15(10-13-4-2-1-3-5-13)12-20-17(18(22)23)11-14-6-8-16(21)9-7-14/h1-9,15,17,20-21H,10-12,19H2,(H,22,23)/t15-,17-/m0/s1

InChIKey:

MFJJEJUIPHIACN-RDJZCZTQSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@H](CN[C@@H](Cc1ccc(O)cc1)C(O)=O)Cc2ccccc2
CACTVS 3.385	N[CH](CN[CH](Cc1ccc(O)cc1)C(O)=O)Cc2ccccc2
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccc(cc2)O)C(=O)O)N
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CC(CNC(Cc2ccc(cc2)O)C(=O)O)N
ACDLabs 12.01	O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccc(O)cc2

Name:

N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine

ZINC:

ZINC000098208082

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).