BioLiP

PDB

BioLiP

PDB CCD ID:

O1Q

Number of entries in BioLiP:

Chemical formula:

C23 H16 Cl N7

InChI:

InChI=1S/C23H16ClN7/c1-14-3-2-4-17(9-14)30-21(7-8-26-30)16-10-19(24)23-22(11-16)31(29-28-23)18-6-5-15-13-25-27-20(15)12-18/h2-13H,1H3,(H,25,27)

InChIKey:

CSVTXOXVXICQEG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cccc(c1)n2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5
CACTVS 3.385	Cc1cccc(c1)n2nccc2c3cc(Cl)c4nnn(c5ccc6cn[nH]c6c5)c4c3

Name:

4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole

ChEMBL:

CHEMBL4592018

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).