BioLiP

PDB

BioLiP

PDB CCD ID:

F18

Number of entries in BioLiP:

Chemical formula:

C9 H10 N6 O

InChI:

InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12-

InChIKey:

AYZRKFOEZQBUEA-SEYXRHQNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.5	c1cc(ccc1N=Nc2c([nH]nc2N)N)O
OpenEye OEToolkits 1.7.5	c1cc(ccc1/N=N\c2c([nH]nc2N)N)O
CACTVS 3.385	Nc1[nH]nc(N)c1N=Nc2ccc(O)cc2
ACDLabs 10.04	N(=N\c1c(nnc1N)N)\c2ccc(O)cc2

Name:

4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL;
CAN508

ZINC:

ZINC000100424605

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).