BioLiP

PDB

BioLiP

PDB CCD ID:

U13

Number of entries in BioLiP:

Chemical formula:

C9 H7 F N6

InChI:

InChI=1S/C9H7FN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11H,12H2/b11-8+,14-13+

InChIKey:

HALOLQDLOLYIOW-ZOBWXTBZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[H]N=C1C(=C(N=N1)N)N=Nc2ccc(cc2)F
CACTVS 3.341	NC1=C(N=Nc2ccc(F)cc2)C(=N)N=N1
OpenEye OEToolkits 1.5.0	[H]/N=C/1\C(=C(N=N1)N)/N=N/c2ccc(cc2)F
ACDLabs 10.04	Fc2ccc(/N=N/C=1C(=[N@H])N=NC=1N)cc2

Name:

4-(4-FLUORO-PHENYLAZO)-5-IMINO-5H-PYRAZOL-3-YLAMINE

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).