BioLiP

PDB

BioLiP

PDB CCD ID:

U8G

Number of entries in BioLiP:

Chemical formula:

C14 H23 N3 O4 Rh

InChI:

InChI=1S/C14H23N3O4.Rh/c1-14(2,3)21-13(19)15-11(12(18)20-6)7-10-8-16(4)9-17(10)5;/h8,11H,7H2,1-6H3,(H,15,19);

InChIKey:

UQXOBHGZUZGMJH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1([Rh])n(C)c(c[n+]1C)CC(C(OC)=O)NC(OC(C)(C)C)=O
OpenEye OEToolkits 2.0.7	CC(C)(C)OC(=O)NC(CC1=C[N](=C(N1C)[Rh])C)C(=O)OC
CACTVS 3.385	COC(=O)C(Cc1c[n](C)c([Rh])n1C)NC(=O)OC(C)(C)C

Name:

(4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)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).