BioLiP

PDB

BioLiP

PDB CCD ID:

DFW

Number of entries in BioLiP:

Chemical formula:

C20 H15 N3 O3

InChI:

InChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23)

InChIKey:

VXTCEUDVOCLEJG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)CNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
ACDLabs 10.04	O=C(O)CNc1ncnc2oc(c(c12)c3ccccc3)c4ccccc4
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCC(=O)O

Name:

N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE

ChEMBL:

CHEMBL363302

DrugBank:

DB07653

ZINC:

ZINC000000383023

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).