BioLiP

PDB

BioLiP

PDB CCD ID:

PMZ

Number of entries in BioLiP:

Chemical formula:

C19 H22 N2 O S

InChI:

InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3

InChIKey:

NOSIYYJFMPDDSA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O
ACDLabs 10.04	O=C(c2cc1N(c3c(Sc1cc2)cccc3)CCCN(C)C)C
OpenEye OEToolkits 1.5.0	CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C

Name:

1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE;
ACETYLPROMAZINE

ChEMBL:

CHEMBL39560

DrugBank:

DB01614

ZINC:

ZINC000000057198

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).