BioLiP

PDB

BioLiP

PDB CCD ID:

KE3

Number of entries in BioLiP:

Chemical formula:

C13 H13 Cl2 N5

InChI:

InChI=1S/C13H13Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7,13,17-19H,8H2/t13-/m1/s1

InChIKey:

ZCTJPLYNKJNLLY-CYBMUJFWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1cccc([CH]2NNNN2Cc3cccnc3)c1Cl
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)Cl)Cl)C2NNNN2Cc3cccnc3
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)Cl)Cl)[C@@H]2NNNN2Cc3cccnc3
CACTVS 3.385	Clc1cccc([C@@H]2NNNN2Cc3cccnc3)c1Cl
ACDLabs 12.01	Clc1cccc(c1Cl)C1NNNN1Cc1cccnc1

Name:

3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine

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).