BioLiP

PDB

BioLiP

PDB CCD ID:

6XY

Number of entries in BioLiP:

Chemical formula:

C17 H19 Br N2 S

InChI:

InChI=1S/C17H19BrN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3

InChIKey:

MEYGNYCKJKFOTR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Br
CACTVS 3.385	CN(C)CCCN1c2ccccc2Sc3ccc(Br)cc13

Name:

bromopromazine

ZINC:

ZINC000144038537

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).