BioLiP

PDB

BioLiP

PDB CCD ID:

YOX

Number of entries in BioLiP:

Chemical formula:

C14 H13 I N2

InChI:

InChI=1S/C14H13IN2/c15-12-7-3-6-10-11(8-16)13(17-14(10)12)9-4-1-2-5-9/h3,6-7,9,17H,1-2,4-5H2

InChIKey:

BBYDGWHLEKHRAJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(c([nH]c2c(c1)I)C3CCCC3)C#N
CACTVS 3.385	Ic1cccc2c1[nH]c(C3CCCC3)c2C#N

Name:

2-cyclopentyl-7-iodanyl-1~{H}-indole-3-carbonitrile

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).