BioLiP

PDB

BioLiP

PDB CCD ID:

3EZ

Number of entries in BioLiP:

Chemical formula:

C34 H32 N6 O2

InChI:

InChI=1S/C34H32N6O2/c41-33(39-29-7-1-5-27(21-29)31-35-17-3-18-36-31)25-13-9-23(10-14-25)24-11-15-26(16-12-24)34(42)40-30-8-2-6-28(22-30)32-37-19-4-20-38-32/h1-2,5-16,21-22H,3-4,17-20H2,(H,35,36)(H,37,38)(H,39,41)(H,40,42)

InChIKey:

FIDDBSXGDWEBNT-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(Nc2cc(C1=NCCCN1)ccc2)c3ccc(cc3)c4ccc(cc4)C(=O)Nc6cc(C5=NCCCN5)ccc6
OpenEye OEToolkits 1.9.2	c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCCN5)C6=NCCCN6
CACTVS 3.385	O=C(Nc1cccc(c1)C2=NCCCN2)c3ccc(cc3)c4ccc(cc4)C(=O)Nc5cccc(c5)C6=NCCCN6

Name:

N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide

ChEMBL:

CHEMBL3410453

ZINC:

ZINC000148723268

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).