BioLiP

PDB

BioLiP

PDB CCD ID:

PNT

Number of entries in BioLiP:

Chemical formula:

C19 H24 N4 O2

InChI:

InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)

InChIKey:

XDRYMKDFEDOLFX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N@H])N)cc2
CACTVS 3.341	NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
OpenEye OEToolkits 1.5.0	c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N

Name:

1,5-BIS(4-AMIDINOPHENOXY)PENTANE

ChEMBL:

CHEMBL55

DrugBank:

DB00738

ZINC:

ZINC000001530775

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).