BioLiP

PDB

BioLiP

PDB CCD ID:

1KW

Number of entries in BioLiP:

Chemical formula:

C2 B10

InChI:

InChI=1S/C2B10/c1-2-3(1)5(1)6(1)4(1,2)8(2)7(2,3)9(3,5)11(5,6)10(4,6,8)12(7,8,9)11

InChIKey:

FSDIYNDXPIJEFP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[B]1234[B]567[B]189[B]2%10%11[B]3%12%13[B]45%14[B]6%15%16[B]78%17[B]9%10%18[C]%11%12%19[B]%13%14%15[C]%16%17%18%19
OpenEye OEToolkits 2.0.7	B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612

Name:

ortho-carborane

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).