BioLiP

PDB

BioLiP

PDB CCD ID:

FRQ

Number of entries in BioLiP:

Chemical formula:

C23 H24 F N3 O2

InChI:

InChI=1S/C23H24FN3O2/c24-19-9-6-10-20-21(19)22(28)25-23(29)27(20)14-5-4-13-26-15-11-18(12-16-26)17-7-2-1-3-8-17/h1-3,6-11H,4-5,12-16H2,(H,25,28,29)

InChIKey:

PNPFDRCIGCUCMN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Fc1cccc2c1C(=O)NC(=O)N2CCCCN4CC=C(c3ccccc3)CC4
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C2=CCN(CC2)CCCCN3c4cccc(c4C(=O)NC3=O)F
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C2=CC[N@@](CC2)CCCCN3c4cccc(c4C(=O)NC3=O)F
CACTVS 3.341	Fc1cccc2N(CCCCN3CCC(=CC3)c4ccccc4)C(=O)NC(=O)c12

Name:

5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE

ChEMBL:

CHEMBL361054

DrugBank:

DB07787

ZINC:

ZINC000006579056

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).