BioLiP

PDB

BioLiP

PDB CCD ID:

OJK

Number of entries in BioLiP:

Chemical formula:

C7 H8 Cl N O2

InChI:

InChI=1S/C7H8ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H,3,9H2

InChIKey:

HHRDPHVERPGLEM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCc1cc(O)c(Cl)cc1O
OpenEye OEToolkits 2.0.7	c1c(c(cc(c1O)Cl)O)CN

Name:

2-(aminomethyl)-5-chloranyl-benzene-1,4-diol

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).