BioLiP

PDB

BioLiP

PDB CCD ID:

73Q

Number of entries in BioLiP:

Chemical formula:

C12 H10 Cl N3 O2

InChI:

InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3

InChIKey:

AYKGPCNWPACUQV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c2c(n(n1)C)N(c3ccc(cc3C2=O)Cl)O
CACTVS 3.341	Cn1nc(C)c2C(=O)c3cc(Cl)ccc3N(O)c12
ACDLabs 10.04	Clc3cc2C(=O)c1c(nn(c1N(O)c2cc3)C)C

Name:

6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE

ChEMBL:

CHEMBL207228

DrugBank:

DB07218

ZINC:

ZINC000014959802

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).