BioLiP

PDB

BioLiP

PDB CCD ID:

R1N

Number of entries in BioLiP:

Chemical formula:

C19 H25 Cl N2 Rh

InChI:

InChI=1S/C10H15.C9H10N2.ClH.Rh/c1-6-7(2)9(4)10(5)8(6)3;1-10-7-11(2)9-6-4-3-5-8(9)10;;/h1-5H3;3-6H,1-2H3;1H;/q;;;+1/p-1

InChIKey:

HHPXLCADKSVWJM-UHFFFAOYSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC12C3([Rh]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C
CACTVS 3.385	CC1C(C)C(C)C(C)C1C.Cn2c([Rh]Cl)[n](C)c3ccccc23

Name:

2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole

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).