BioLiP

PDB

BioLiP

PDB CCD ID:

DYU

Number of entries in BioLiP:

Chemical formula:

C22 H23 N3 O S

InChI:

InChI=1S/C22H23N3OS/c1-13-5-8-20(16(4)9-13)25-21(18-11-27-12-19(18)24-25)23-22(26)17-7-6-14(2)15(3)10-17/h5-10H,11-12H2,1-4H3,(H,23,26)

InChIKey:

FJKKXWLUKJOWNU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc(n2nc3CSCc3c2NC(=O)c4ccc(C)c(C)c4)c(C)c1
OpenEye OEToolkits 2.0.7	Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(c(c4)C)C

Name:

~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide

ZINC:

ZINC000004176129

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).