BioLiP

PDB

BioLiP

PDB CCD ID:

RHZ

Number of entries in BioLiP:

Chemical formula:

C12 H11 Cl N2 O

InChI:

InChI=1S/C12H11ClN2O/c1-16-11-6-8(2-3-10(11)13)9-4-5-15-12(14)7-9/h2-7H,1H3,(H2,14,15)

InChIKey:

XNQXYTWAWZWTHH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cc(ccc1Cl)c2ccnc(c2)N
CACTVS 3.385	COc1cc(ccc1Cl)c2ccnc(N)c2

Name:

4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine

ChEMBL:

CHEMBL5078346

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).