BioLiP

PDB

BioLiP

PDB CCD ID:

N0Z

Number of entries in BioLiP:

Chemical formula:

C10 H9 N5 O

InChI:

InChI=1S/C10H9N5O/c11-8-7-5-3-4(16)1-2-6(5)13-9(7)15-10(12)14-8/h1-3,16H,(H5,11,12,13,14,15)

InChIKey:

QPHUIBRHCXZODB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1nc(N)c2c([nH]c3ccc(O)cc23)n1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N

Name:

2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol

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).