BioLiP

PDB

BioLiP

PDB CCD ID:

A1IR0

Number of entries in BioLiP:

Chemical formula:

C15 H11 N5 O

InChI:

InChI=1S/C15H11N5O/c16-13-11-5-8-20(10-3-6-17-7-4-10)15(11)19-14(18-13)12-2-1-9-21-12/h1-9H,(H2,16,18,19)

InChIKey:

WXVIBIODIRHTBI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(oc1)c2nc(c3ccn(c3n2)c4ccncc4)N
CACTVS 3.385	Nc1nc(nc2n(ccc12)c3ccncc3)c4occc4

Name:

2-(furan-2-yl)-7-pyridin-4-yl-pyrrolo[2,3-d]pyrimidin-4-amine

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).