BioLiP

PDB

BioLiP

PDB CCD ID:

1MK

Number of entries in BioLiP:

Chemical formula:

C22 H23 Cl F N2 Os S

InChI:

InChI=1S/C12H9FN2S.C10H14.ClH.Os/c13-9-4-6-10(7-5-9)15-12(16)11-3-1-2-8-14-11;1-8(2)10-6-4-9(3)5-7-10;;/h1-8H,(H,15,16);4-8H,1-3H3;1H;/q;;;+1/p-1

InChIKey:

BSRBCHDQAAJOCM-UHFFFAOYSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C)C12=CC=C([Os]1([N]3=C(C=CC=C3)C(=S)Nc4ccc(cc4)F)Cl)(C=C2)C
CACTVS 3.370	CC(C)c12\|[Os](Cl)(\|n3ccccc3C(=S)Nc4ccc(F)cc4)\|c(C)(cc1)cc2
ACDLabs 12.01	Fc1ccc(cc1)NC(=S)c2n(cccc2)[Os]4(Cl)C=3(C=CC4(=CC=3)C(C)C)C

Name:

chlorido(eta-6-p-cymene)(N-fluorophenyl-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).