BioLiP

PDB

BioLiP

PDB CCD ID:

KSF

Number of entries in BioLiP:

Chemical formula:

C18 H13 Cl N4

InChI:

InChI=1S/C18H13ClN4/c19-14-8-4-5-9-15(14)22-18-17-10-20-12-23(17)16(11-21-18)13-6-2-1-3-7-13/h1-12H,(H,21,22)

InChIKey:

NNBICZMPIJMWGC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Clc1ccccc1Nc2ncc(n3cncc23)c4ccccc4
ACDLabs 10.04	Clc1ccccc1Nc3ncc(n2c3cnc2)c4ccccc4
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2cnc(c3n2cnc3)Nc4ccccc4Cl

Name:

N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine

ChEMBL:

CHEMBL462228

DrugBank:

DB08055

ZINC:

ZINC000039033939

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).