BioLiP

PDB

BioLiP

PDB CCD ID:

979

Number of entries in BioLiP:

Chemical formula:

C24 H25 N5 O

InChI:

InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28)

InChIKey:

PTILEOLOGGMFCS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5
ACDLabs 10.04	n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCN5CCNCC5
CACTVS 3.341	C1CN(CCN1)CCNc2ncnc3oc(c4ccccc4)c(c5ccccc5)c23

Name:

5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE;
FURANOPYRIDIMIDINE 1

ChEMBL:

CHEMBL247272

DrugBank:

DB07297

ZINC:

ZINC000023359501

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).