BioLiP

PDB

BioLiP

PDB CCD ID:

4L6

Number of entries in BioLiP:

Chemical formula:

C17 H14 N6 O

InChI:

InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)

InChIKey:

PTHVKCSYXICMAR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N
CACTVS 3.385	Cc1cc2cn[nH]c2cc1c3cccc4c(N)c(nnc34)C(N)=O
ACDLabs 12.01	Cc2cc1cnnc1cc2c3cccc4c3nnc(c4N)C(N)=O

Name:

4-amino-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide

ChEMBL:

CHEMBL3586447

ZINC:

ZINC000205294816

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).