BioLiP

PDB

BioLiP

PDB CCD ID:

YGL

Number of entries in BioLiP:

Chemical formula:

C18 H14 N4 O

InChI:

InChI=1S/C18H14N4O/c19-18-21-16-14(17(23)22-18)13(11-7-3-1-4-8-11)15(20-16)12-9-5-2-6-10-12/h1-10H,(H4,19,20,21,22,23)

InChIKey:

XTJRPOFKSXCKPF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1c2c(c(nc2N=C(N)N1)c3ccccc3)c4ccccc4
CACTVS 3.385	NC1=Nc2[nH]c(c3ccccc3)c(c4ccccc4)c2C(=O)N1
OpenEye OEToolkits 1.9.2	c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N

Name:

2-amino-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one

ChEMBL:

CHEMBL3318808

ZINC:

ZINC000222800861

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).