BioLiP

PDB

BioLiP

PDB CCD ID:

VIU

Number of entries in BioLiP:

Chemical formula:

C23 H29 N3 S

InChI:

InChI=1S/C23H29N3S/c1-3-17-13-19(26-10-6-7-11-26)15-21-23(17)24-22-16(2)12-18(14-20(22)27-21)25-8-4-5-9-25/h12-15,27H,3-11H2,1-2H3

InChIKey:

PKXKXYSZKVTBNQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCc1cc(cc2c1N=C3C(=CC(=CC3=S2)N4CCCC4)C)N5CCCC5
CACTVS 3.385	CCc1cc(cc2[SH]=C3C=C(C=C(C)C3=Nc12)N4CCCC4)N5CCCC5

Name:

1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine

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).