BioLiP

PDB

BioLiP

PDB CCD ID:

RHL

Number of entries in BioLiP:

Chemical formula:

C22 H31 N3 O Rh

InChI:

InChI=1S/C22H31N3O.Rh/c1-2-3-4-5-6-7-8-9-10-17-22(26)25(20-15-11-13-18-23-20)21-16-12-14-19-24-21;/h11-16,18-19H,2-10,17H2,1H3;

InChIKey:

ZXPSHQNTCOAEBQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]3=CC=CC=C31
ACDLabs 12.01	O=C(N1c3n([Rh]n2c1cccc2)cccc3)CCCCCCCCCCC
CACTVS 3.370	[Rh]\|1\|n2ccccc2N(C(=O)CCCCCCCCCCC)c3ccccn\|13

Name:

[N,N-di(pyridin-2-yl-kappaN)dodecanamide]rhodium

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).