BioLiP

PDB

BioLiP

PDB CCD ID:

2PT

Number of entries in BioLiP:

Chemical formula:

C20 H29 N6 Pt S

InChI:

InChI=1S/C18H20N4S.C2H8N2.Pt/c1-19-18(23)22(2)12-11-20-17-13-7-3-5-9-15(13)21-16-10-6-4-8-14(16)17;3-1-2-4;/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,21);1-4H2;/q;;+2/p+1

InChIKey:

OKAPUBIJKIBDMC-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	[Pt++]\|1(\|NCCN\|1)\|S=C(NC)N(C)CCNc2c3ccccc3[nH+]c4ccccc24
OpenEye OEToolkits 1.7.6	CNC(=[S][Pt+2]1[NH2]CC[NH2]1)N(C)CCNc2c3ccccc3[nH+]c4c2cccc4

Name:

1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-1,3-DIMETHYLTHIOUREA-PLATINUM(II)-ETHANE-1,2-DIAMINE

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).