BioLiP

PDB

BioLiP

PDB CCD ID:

A1I10

Number of entries in BioLiP:

Chemical formula:

C9 H8 F N3

InChI:

InChI=1S/C9H8FN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)

InChIKey:

SIXWIUJQBBANGK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1n[nH]cc1c2ccc(F)cc2
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2c[nH]nc2N)F

Name:

4-(4-fluorophenyl)-1~{H}-pyrazol-3-amine

ChEMBL:

CHEMBL1890883

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).