BioLiP

PDB

BioLiP

PDB CCD ID:

4XQ

Number of entries in BioLiP:

Chemical formula:

C15 H26 N6

InChI:

InChI=1S/C15H26N6/c1-3-10-20-12-14(16-18-20)8-6-5-7-9-15-13-21(11-4-2)19-17-15/h12-13H,3-11H2,1-2H3

InChIKey:

MUTHZRDXMHMSAA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCn1cc(CCCCCc2cn(CCC)nn2)nn1
OpenEye OEToolkits 1.9.2	CCCn1cc(nn1)CCCCCc2cn(nn2)CCC
ACDLabs 12.01	C(Cn1cc(nn1)CCCCCc2cn(CCC)nn2)C

Name:

4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole)

ZINC:

ZINC000584905141

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).