BioLiP

PDB

BioLiP

PDB CCD ID:

RTZ

Number of entries in BioLiP:

Chemical formula:

C21 H26 N2 S2

InChI:

InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m1/s1

InChIKey:

KLBQZWRITKRQQV-MRXNPFEDSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	S(c2cc1N(c3c(Sc1cc2)cccc3)CCC4N(C)CCCC4)C
CACTVS 3.370	CSc1ccc2Sc3ccccc3N(CC[CH]4CCCCN4C)c2c1
OpenEye OEToolkits 1.7.2	CN1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)SC
OpenEye OEToolkits 1.7.2	C[N@]1CCCC[C@@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
CACTVS 3.370	CSc1ccc2Sc3ccccc3N(CC[C@H]4CCCCN4C)c2c1

Name:

10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine

ChEMBL:

CHEMBL1357558

ZINC:

ZINC000001530697

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).