BioLiP

PDB

BioLiP

PDB CCD ID:

ELJ

Number of entries in BioLiP:

Chemical formula:

C22 H24 Cl N2 Os S

InChI:

InChI=1S/C12H10N2S.C10H14.ClH.Os/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10;1-8(2)10-6-4-9(3)5-7-10;;/h1-9H,(H,14,15);4-8H,1-3H3;1H;/q;;;+1/p-1

InChIKey:

CSBMINAMHOZLQK-UHFFFAOYSA-M

SMILES:

Software	SMILES
CACTVS 3.370	CC(C)c1ccc(C)cc1.Cl[Os]\|2\|S=C(Nc3ccccc3)c4ccccn\|24
ACDLabs 12.01	Cl[Os]2S=C(c1ccccn12)Nc3ccccc3.c1cc(ccc1C(C)C)C
OpenEye OEToolkits 1.7.6	Cc1ccc(cc1)C(C)C.c1ccc(cc1)NC2=[S][Os]([N]3=C2C=CC=C3)Cl

Name:

chlorido(eta-6-p-cymene)(N-phenyl-2-pyridinecarbothioamide)osmium(II)

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).