BioLiP

PDB

BioLiP

PDB CCD ID:

0UZ

Number of entries in BioLiP:

Chemical formula:

C8 H8 Cl N O3

InChI:

InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1

InChIKey:

FLZDFFKRJPLFGS-SSDOTTSWSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1cc(ccc1O)C(C(=O)O)N
OpenEye OEToolkits 1.7.6	c1cc(c(cc1C(C(=O)O)N)Cl)O
OpenEye OEToolkits 1.7.6	c1cc(c(cc1[C@H](C(=O)O)N)Cl)O
CACTVS 3.370	N[CH](C(O)=O)c1ccc(O)c(Cl)c1
CACTVS 3.370	N[C@@H](C(O)=O)c1ccc(O)c(Cl)c1

Name:

(2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid

ZINC:

ZINC000008377559

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).