BioLiP

PDB

BioLiP

PDB CCD ID:

DFY

Number of entries in BioLiP:

Chemical formula:

C21 H19 N3 O2

InChI:

InChI=1S/C21H19N3O2/c1-24(12-13-25)20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-14-22-20/h2-11,14,25H,12-13H2,1H3

InChIKey:

VDJWWYRYKMXMKA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN(CCO)c1c2c(c(oc2ncn1)c3ccccc3)c4ccccc4
CACTVS 3.341	CN(CCO)c1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
ACDLabs 10.04	n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)N(CCO)C

Name:

(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC

ChEMBL:

CHEMBL364811

DrugBank:

DB07654

ZINC:

ZINC000006379141

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).