BioLiP

PDB

BioLiP

PDB CCD ID:

KEX

Number of entries in BioLiP:

Chemical formula:

C10 H7 Br Cl N5

InChI:

InChI=1S/C10H7BrClN5/c11-7-2-6-5(1-10-14-16-17-15-10)4-13-9(6)3-8(7)12/h2-4,13H,1H2,(H,14,15,16,17)

InChIKey:

HTQRKTDCAPEPRW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c2c(cc(c1Br)Cl)[nH]cc2Cc3[nH]nnn3
CACTVS 3.385	Clc1cc2[nH]cc(Cc3[nH]nnn3)c2cc1Br

Name:

5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole

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).