BioLiP

PDB

BioLiP

PDB CCD ID:

A1AHL

Number of entries in BioLiP:

Chemical formula:

C18 H19 Cl N2 O S

InChI:

InChI=1S/C18H19ClN2OS/c1-20(18(22)13-19)11-6-12-21-14-7-2-4-9-16(14)23-17-10-5-3-8-15(17)21/h2-5,7-10H,6,11-13H2,1H3

InChIKey:

DGIQIBHRQRNGPY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(CCCN1c2ccccc2Sc3ccccc13)C(=O)CCl
ACDLabs 12.01	ClCC(=O)N(C)CCCN1c2ccccc2Sc2ccccc12
OpenEye OEToolkits 2.0.7	CN(CCCN1c2ccccc2Sc3c1cccc3)C(=O)CCl

Name:

2-chloro-N-methyl-N-[3-(10H-phenothiazin-10-yl)propyl]acetamide

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).