BioLiP

PDB

BioLiP

PDB CCD ID:

74U

Number of entries in BioLiP:

Chemical formula:

C19 H15 N3 O

InChI:

InChI=1S/C19H15N3O/c1-2-7-14(8-3-1)18-21-17-11-5-4-10-16(17)19(22-18)20-13-15-9-6-12-23-15/h1-12H,13H2,(H,20,21,22)

InChIKey:

AZNLVBWSZDPKAA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4
CACTVS 3.385	C(Nc1nc(nc2ccccc12)c3ccccc3)c4occc4
ACDLabs 12.01	c2(nc(NCc1ccco1)c3c(n2)cccc3)c4ccccc4

Name:

N-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine

ChEMBL:

CHEMBL332686

ZINC:

ZINC000000119346

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).