BioLiP

PDB

BioLiP

PDB CCD ID:

NZH

Number of entries in BioLiP:

Chemical formula:

C7 H9 N7 O

InChI:

InChI=1S/C7H9N7O/c8-5(3-15)1-6-2-14(4-9-6)7-10-12-13-11-7/h2-5H,1,8H2,(H,10,11,12,13)/t5-/m0/s1

InChIKey:

OOFNCFXOGMDAEN-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](Cc1cn(cn1)c2[nH]nnn2)C=O
ACDLabs 10.04	O=CC(N)Cc2ncn(c1nnnn1)c2
CACTVS 3.341	N[C@@H](Cc1cn(cn1)c2[nH]nnn2)C=O
OpenEye OEToolkits 1.5.0	c1c(ncn1c2[nH]nnn2)C[C@@H](C=O)N
OpenEye OEToolkits 1.5.0	c1c(ncn1c2[nH]nnn2)CC(C=O)N

Name:

(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-5-YL)-1H-IMIDAZOL-4-YL]PROPANAL;
TETRAZOLYL HISTIDINE

DrugBank:

DB02528

ZINC:

ZINC000058638991

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).