BioLiP

PDB

BioLiP

PDB CCD ID:

M2N

Number of entries in BioLiP:

Chemical formula:

C18 H15 N5

InChI:

InChI=1S/C18H15N5/c19-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)21-17(14)23-18(20)22-16/h1-10H,(H5,19,20,21,22,23)

InChIKey:

ALHDUYCWXQUVGC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N
CACTVS 3.385	Nc1nc(N)c2c([nH]c(c3ccccc3)c2c4ccccc4)n1
ACDLabs 12.01	n1c(c2c(nc1N)nc(c2c3ccccc3)c4ccccc4)N

Name:

5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

ChEMBL:

CHEMBL3318820

ZINC:

ZINC000196693451

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).