BioLiP

PDB

BioLiP

PDB CCD ID:

SVH

Number of entries in BioLiP:

Chemical formula:

C13 H9 F N4 O

InChI:

InChI=1S/C13H9FN4O/c14-6-1-7(9-5-17-18-11(9)2-6)8-3-15-12-10(8)4-16-13(12)19/h1-3,5,15H,4H2,(H,16,19)(H,17,18)

InChIKey:

HAQWDJLVWPNOMF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1cc2[nH]ncc2c(c1)c3c[nH]c4C(=O)NCc34
OpenEye OEToolkits 2.0.7	c1c(cc2c(c1c3c[nH]c4c3CNC4=O)cn[nH]2)F

Name:

3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one

ChEMBL:

CHEMBL4743552

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).