BioLiP

PDB

BioLiP

PDB CCD ID:

DIM

Number of entries in BioLiP:

Chemical formula:

C14 H20 N9 O3

InChI:

InChI=1S/C14H19N9O3/c1-22-5-9(18-7-24)19-12(22)14(26)21-10-6-23(2)11(20-10)13(25)17-4-3-8(15)16/h5-7H,3-4H2,1-2H3,(H3,15,16)(H,17,25)(H,18,24)(H,21,26)/p+1

InChIKey:

WISSDOJERIUENW-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.341	Cn1cc(NC=O)nc1C(=O)Nc2cn(C)c(n2)C(=O)NCCC(N)=[NH2+]
OpenEye OEToolkits 1.5.0	Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)NCCC(=[NH2+])N)C)NC=O
ACDLabs 10.04	O=C(c2nc(NC(=O)c1nc(NC=O)cn1C)cn2C)NCCC(=[NH2+])\N

Name:

DIIMIDAZOLE LEXITROPSIN

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).