BioLiP

PDB

BioLiP

PDB CCD ID:

O1N

Number of entries in BioLiP:

Chemical formula:

C19 H20 Cl2 N2 Os

InChI:

InChI=1S/C10H14.C9H10N2.2ClH.Os/c1-8(2)10-6-4-9(3)5-7-10;1-10-7-11(2)9-6-4-3-5-8(9)10;;;/h4-8H,1-3H3;3-6H,1-2H3;2*1H;/q;;;;+2/p-2

InChIKey:

HTBSTFDYMNQUHX-UHFFFAOYSA-L

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)[C@@]12CC[C@@](C)(CC1)[Os]2(Cl)(Cl)c3n(C)c4ccccc4[n]3C
OpenEye OEToolkits 2.0.7	CC(C)C12[C]3[Os]1456([C]3C4([C]5[C]62)C)(C7=[N](c8ccccc8N7C)C)(Cl)Cl
CACTVS 3.385	CC(C)[C]12CC[C](C)(CC1)[Os]2(Cl)(Cl)c3n(C)c4ccccc4[n]3C

Name:

dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)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).