BioLiP

PDB

BioLiP

PDB CCD ID:

YMT

Number of entries in BioLiP:

Chemical formula:

C22 H17 Cl N2 O2

InChI:

InChI=1S/C22H17ClN2O2/c1-14-7-8-17(20(23)9-14)16-10-18(22(26)27)19-13-25(24-21(19)11-16)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,26,27)

InChIKey:

DUZNKLSIWRLVOS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc(c(Cl)c1)c2cc3nn(Cc4ccccc4)cc3c(c2)C(O)=O
ACDLabs 12.01	O=C(O)c1cc(cc2nn(cc12)Cc1ccccc1)c1ccc(C)cc1Cl
OpenEye OEToolkits 2.0.7	Cc1ccc(c(c1)Cl)c2cc(c3cn(nc3c2)Cc4ccccc4)C(=O)O

Name:

(6M)-2-benzyl-6-(2-chloro-4-methylphenyl)-2H-indazole-4-carboxylic acid

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).