BioLiP

PDB

BioLiP

PDB CCD ID:

FHZ

Number of entries in BioLiP:

Chemical formula:

C11 H14 N6 O2

InChI:

InChI=1S/C11H14N6O2/c1-19-8-4-2-7(3-5-8)6-9(11(18)13-12)10-14-16-17-15-10/h2-5,9H,6,12H2,1H3,(H,13,18)(H,14,15,16,17)/t9-/m1/s1

InChIKey:

OKIHHJXQEJHBAW-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(C[C@@H](C(=O)NN)c2n[nH]nn2)cc1
OpenEye OEToolkits 2.0.6	COc1ccc(cc1)CC(c2n[nH]nn2)C(=O)NN
CACTVS 3.385	COc1ccc(C[CH](C(=O)NN)c2n[nH]nn2)cc1
OpenEye OEToolkits 2.0.6	COc1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN

Name:

(2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide

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).