BioLiP

PDB

BioLiP

PDB CCD ID:

DID

Number of entries in BioLiP:

Chemical formula:

C20 H26 N4 O2

InChI:

InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)

InChIKey:

OQLKNTOKMBVBKV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N
CACTVS 3.341	NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1
ACDLabs 10.04	O(c1ccc(cc1)C(=[N@H])N)CCCCCCOc2ccc(C(=[N@H])N)cc2

Name:

4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE

ChEMBL:

CHEMBL25105

DrugBank:

DB03808

ZINC:

ZINC000001705403

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).