BioLiP

PDB

BioLiP

PDB CCD ID:

ZZ4

Number of entries in BioLiP:

Chemical formula:

C16 H11 Cl2 N5

InChI:

InChI=1S/C16H11Cl2N5/c17-10-6-7-12(13(18)8-10)15-14(9-20-16(19)21-15)23-22-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21)/b23-22+

InChIKey:

UNJMNJFPEVJCQK-GHVJWSGMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	c1ccc(cc1)N=Nc2cnc(nc2c3ccc(cc3Cl)Cl)N
CACTVS 3.352	Nc1ncc(N=Nc2ccccc2)c(n1)c3ccc(Cl)cc3Cl
ACDLabs 10.04	Clc1ccc(c(Cl)c1)c3nc(ncc3/N=N/c2ccccc2)N
OpenEye OEToolkits 1.6.1	c1ccc(cc1)/N=N/c2cnc(nc2c3ccc(cc3Cl)Cl)N

Name:

4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine;
4-(2,4-DICHLORO-PHEYL)-5-PHENYLAZO-PYRIMIDIN-2YLAMINE

ChEMBL:

CHEMBL549340

DrugBank:

DB08787

ZINC:

ZINC000100037036

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).