BioLiP

PDB

BioLiP

PDB CCD ID:

01B

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O3

InChI:

InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1

InChIKey:

LDSJMFGYNFIFRK-BDAKNGLRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CC(C(C(=O)O)O)N
ACDLabs 12.01	O=C(O)C(O)C(N)Cc1ccccc1
CACTVS 3.370	N[CH](Cc1ccccc1)[CH](O)C(O)=O
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N
CACTVS 3.370	N[C@H](Cc1ccccc1)[C@H](O)C(O)=O

Name:

(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid

ChEMBL:

CHEMBL70899

ZINC:

ZINC000006096602

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).