BioLiP

PDB

BioLiP

PDB CCD ID:

7GZ

Number of entries in BioLiP:

Chemical formula:

C22 H18 N4 O

InChI:

InChI=1S/C22H18N4O/c1-2-13-11-15(27)8-10-16(13)14-7-9-17-20(12-14)25-26-21(17)22-23-18-5-3-4-6-19(18)24-22/h3-12,27H,2H2,1H3,(H,23,24)(H,25,26)

InChIKey:

CSLGOZXFBHTYAA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCc1cc(O)ccc1c2ccc3c([nH]nc3c4[nH]c5ccccc5n4)c2
OpenEye OEToolkits 2.0.6	CCc1cc(ccc1c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4)O
ACDLabs 12.01	c5c(ccc(c1ccc4c(c1)nnc4c3nc2ccccc2n3)c5CC)O

Name:

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-ethylphenol

ChEMBL:

CHEMBL3928932

ZINC:

ZINC000167235280

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).