BioLiP

PDB

BioLiP

PDB CCD ID:

KDU

Number of entries in BioLiP:

Chemical formula:

C19 H14 Cl2 N6 O

InChI:

InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)

InChIKey:

GMVNBKZQJFRFAR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1cccc(n2nnnc2NCc3ccccc3Oc4ccccn4)c1Cl
ACDLabs 12.01	Clc1cccc(c1Cl)n1nnnc1NCc1ccccc1Oc1ccccn1
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)CNc2nnnn2c3cccc(c3Cl)Cl)Oc4ccccn4

Name:

(1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine

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).