BioLiP

PDB

BioLiP

PDB CCD ID:

7PC

Number of entries in BioLiP:

Chemical formula:

C18 H15 Cl N2 O2

InChI:

InChI=1S/C18H15ClN2O2/c19-14-9-12(11-20)4-6-17(14)23-18-7-5-13(10-16(18)22)15-3-1-2-8-21-15/h1-10,22H,11,20H2

InChIKey:

ANDLXIQDWFGHEE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Clc3cc(ccc3Oc2c(O)cc(c1ncccc1)cc2)CN
OpenEye OEToolkits 1.5.0	c1ccnc(c1)c2ccc(c(c2)O)Oc3ccc(cc3Cl)CN
CACTVS 3.341	NCc1ccc(Oc2ccc(cc2O)c3ccccn3)c(Cl)c1

Name:

2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-5-PYRIDIN-2-YLPHENOL

ZINC:

ZINC000058631463

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).