BioLiP

PDB

BioLiP

PDB CCD ID:

VGM

Number of entries in BioLiP:

Chemical formula:

C19 H17 N3 O3

InChI:

InChI=1S/C19H17N3O3/c1-25-17-9-13(6-7-16(17)23)14-8-15(18(20)22-10-14)11-2-4-12(5-3-11)19(21)24/h2-10,23H,1H3,(H2,20,22)(H2,21,24)

InChIKey:

MGGHBVJICDPMQM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	COc1cc(ccc1O)c2cnc(N)c(c2)c3ccc(cc3)C(N)=O
ACDLabs 10.04	O=C(N)c1ccc(cc1)c2cc(cnc2N)c3ccc(O)c(OC)c3
OpenEye OEToolkits 1.6.1	COc1cc(ccc1O)c2cc(c(nc2)N)c3ccc(cc3)C(=O)N

Name:

4-[2-AMINO-5-(4-HYDROXY-3-METHOXYPHENYL)PYRIDIN-3-YL]BENZAMIDE

ChEMBL:

CHEMBL600441

ZINC:

ZINC000045370076

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).