BioLiP

PDB

BioLiP

PDB CCD ID:

E42

Number of entries in BioLiP:

Chemical formula:

C15 H15 N O3

InChI:

InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1

InChIKey:

KLQKIRKWYATAMF-CQSZACIVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](Cc1cccc(c1)c2cccc(O)c2)C(O)=O
ACDLabs 12.01	c1c(cccc1CC(C(=O)O)N)c2cccc(c2)O
OpenEye OEToolkits 1.9.2	c1cc(cc(c1)c2cccc(c2)O)C[C@H](C(=O)O)N
CACTVS 3.385	N[C@H](Cc1cccc(c1)c2cccc(O)c2)C(O)=O
OpenEye OEToolkits 1.9.2	c1cc(cc(c1)c2cccc(c2)O)CC(C(=O)O)N

Name:

(R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid

ChEMBL:

CHEMBL3759959

ZINC:

ZINC000263620653

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).