BioLiP

PDB

BioLiP

PDB CCD ID:

DYR

Number of entries in BioLiP:

Chemical formula:

C21 H14 Cl N3 O

InChI:

InChI=1S/C21H14ClN3O/c22-17-9-5-6-14(12-23)21(17)24-20(26)13-25-18-10-3-1-7-15(18)16-8-2-4-11-19(16)25/h1-11H,13H2,(H,24,26)

InChIKey:

ZDAKKNHUWVTCRS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c3ccccc3n2CC(=O)Nc4c(cccc4Cl)C#N
CACTVS 3.385	Clc1cccc(C#N)c1NC(=O)Cn2c3ccccc3c4ccccc24

Name:

2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl)ethanamide

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).