BioLiP

PDB

BioLiP

PDB CCD ID:

GJN

Number of entries in BioLiP:

Chemical formula:

C16 H12 N4

InChI:

InChI=1S/C16H12N4/c17-16-13(10-6-2-1-3-7-10)15-14(19-20-16)11-8-4-5-9-12(11)18-15/h1-9,18H,(H2,17,20)

InChIKey:

DHDZFJQQXROKLC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1nnc2c([nH]c3ccccc23)c1c4ccccc4
ACDLabs 12.01	Nc1nnc2c3ccccc3[NH]c2c1c1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2c3c(c4ccccc4[nH]3)nnc2N

Name:

4-phenyl-5H-pyridazino[4,3-b]indol-3-amine

ChEMBL:

CHEMBL5183240

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).