BioLiP

PDB

BioLiP

PDB CCD ID:

A1AVD

Number of entries in BioLiP:

Chemical formula:

C20 H24 N2 Rh

InChI:

InChI=1S/C10H15.C9H7N2.CH3.Rh/c1-6-7(2)9(4)10(5)8(6)3;10-8-5-1-3-7-4-2-6-11-9(7)8;;/h1-5H3;1-6,10H;1H3;/q;-1;;+2

InChIKey:

OGJMMRAAIAEDPR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[Rh]([n+]1cccc2cccc(N)c12)C3(C)C(=C(C)C(=C3C)C)C
OpenEye OEToolkits 2.0.7	CC12=C3([Rh]1456(C2(=C4(C53C)C)C)([N]c7cccc8c7[n+]6ccc8)C)C
ACDLabs 12.01	CC12=C3(C)C4(C)=C5(C)C1(C)[Rh]12345(C)Nc2cccc3ccc[n+]1c32

Name:

Rh(pentamethylcyclopentadiene)(8-aminoquinoline)Cl

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).