BioLiP

PDB

BioLiP

PDB CCD ID:

FHW

Number of entries in BioLiP:

Chemical formula:

C10 H12 N6 O

InChI:

InChI=1S/C10H12N6O/c11-12-10(17)8(9-13-15-16-14-9)6-7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,17)(H,13,14,15,16)/t8-/m1/s1

InChIKey:

SGFUQCKYWZCXFN-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NNC(=O)[C@H](Cc1ccccc1)c2n[nH]nn2
OpenEye OEToolkits 2.0.6	c1ccc(cc1)CC(c2n[nH]nn2)C(=O)NN
CACTVS 3.385	NNC(=O)[CH](Cc1ccccc1)c2n[nH]nn2
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN

Name:

(2~{R})-3-phenyl-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).