BioLiP

PDB

BioLiP

PDB CCD ID:

MGR

Number of entries in BioLiP:

Chemical formula:

C23 H25 N2

InChI:

InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1

InChIKey:

VFCNQNZNPKRXIT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CN(C)c1ccc(cc1)C(c2ccccc2)=C3C=CC(C=C3)=[N+](C)C
OpenEye OEToolkits 1.5.0	CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3
ACDLabs 10.04	C(=C1\C=C/C(=[N+](/C)C)C=C1)(\c2ccccc2)c3ccc(N(C)C)cc3

Name:

MALACHITE GREEN

ChEMBL:

CHEMBL1181633

DrugBank:

DB03895

ZINC:

ZINC000003953819

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).