BioLiP

PDB

BioLiP

PDB CCD ID:

GHP

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O3

InChI:

InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1

InChIKey:

LJCWONGJFPCTTL-SSDOTTSWSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[CH](C(O)=O)c1ccc(O)cc1
ACDLabs 12.01	O=C(O)C(N)c1ccc(O)cc1
OpenEye OEToolkits 1.7.0	c1cc(ccc1C(C(=O)O)N)O
OpenEye OEToolkits 1.7.0	c1cc(ccc1[C@H](C(=O)O)N)O
CACTVS 3.370	N[C@@H](C(O)=O)c1ccc(O)cc1

Name:

(2R)-amino(4-hydroxyphenyl)ethanoic acid

ChEMBL:

CHEMBL1232204

DrugBank:

DB04308

ZINC:

ZINC000000157101

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).