BioLiP

PDB

BioLiP

PDB CCD ID:

G0O

Number of entries in BioLiP:

Chemical formula:

C11 H13 N5 O S

InChI:

InChI=1S/C11H13N5OS/c1-7(6-18)11(17)12-9-4-2-3-8(5-9)10-13-15-16-14-10/h2-5,7,18H,6H2,1H3,(H,12,17)(H,13,14,15,16)/t7-/m1/s1

InChIKey:

ZUTCRKIDPCRTLZ-SSDOTTSWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](CS)C(=O)Nc1cccc(c1)c2n[nH]nn2
OpenEye OEToolkits 2.0.7	CC(CS)C(=O)Nc1cccc(c1)c2n[nH]nn2
CACTVS 3.385 OpenEye OEToolkits 2.0.7	C[C@H](CS)C(=O)Nc1cccc(c1)c2n[nH]nn2

Name:

(S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide

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).