BioLiP

PDB

BioLiP

PDB CCD ID:

TUT

Number of entries in BioLiP:

Chemical formula:

C21 H24 Cl N3 O3

InChI:

InChI=1S/C21H24ClN3O3/c1-27-17-4-2-3-14(11-17)12-20(23)25-21(26)18-13-15(22)5-6-19(18)28-16-7-9-24-10-8-16/h2-6,11,13,16,24H,7-10,12H2,1H3,(H2,23,25,26)

InChIKey:

ASGVJWYYPPACHP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COc1cccc(c1)CC(=N)NC(=O)c2cc(ccc2OC3CCNCC3)Cl
CACTVS 3.385	COc1cccc(CC(=N)NC(=O)c2cc(Cl)ccc2OC3CCNCC3)c1
OpenEye OEToolkits 1.7.6	[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2cc(ccc2OC3CCNCC3)Cl

Name:

5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide

ZINC:

ZINC000584905761

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).