BioLiP

PDB

BioLiP

PDB CCD ID:

22P

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O3

InChI:

InChI=1S/C11H15NO3/c12-8-11(15,10(13)14)7-6-9-4-2-1-3-5-9/h1-5,15H,6-8,12H2,(H,13,14)/t11-/m1/s1

InChIKey:

IUOCOUFAWITNIG-LLVKDONJSA-N

SMILES:

Software	SMILES
CACTVS 3.370	NC[C@](O)(CCc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CCC(CN)(C(=O)O)O
CACTVS 3.370	NC[C](O)(CCc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CC[C@@](CN)(C(=O)O)O
ACDLabs 12.01	O=C(O)C(O)(CCc1ccccc1)CN

Name:

(2R)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid

ZINC:

ZINC000098208085

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).