BioLiP

PDB

BioLiP

PDB CCD ID:

RHX

Number of entries in BioLiP:

Chemical formula:

C24 H19 N2 O2 Rh

InChI:

InChI=1S/C24H19N2O2.Rh/c1-3-8-17(9-4-1)21-15-27-23(25-21)19-12-7-13-20(14-19)24-26-22(16-28-24)18-10-5-2-6-11-18;/h1-13,21-22H,15-16H2;/t21-,22-;/m1./s1

InChIKey:

FCXWDODCDHPSDA-HLUKFBSCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@H]2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4[C@H](CO6)c7ccccc7
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4C(CO6)c7ccccc7
CACTVS 3.385	[Rh]c1c(cccc1C2=N[C@H](CO2)c3ccccc3)C4=N[C@H](CO4)c5ccccc5
CACTVS 3.385	[Rh]c1c(cccc1C2=N[CH](CO2)c3ccccc3)C4=N[CH](CO4)c5ccccc5

Name:

[2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL]RHODIUM(III);
[2,6-BIS(4-PHENYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL-KAPPAN)PHENYL-KAPPAC~1~]RHODIUM(3+)

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).