BioLiP

PDB

BioLiP

PDB CCD ID:

9DQ

Number of entries in BioLiP:

Chemical formula:

C4 H7 N5 O2

InChI:

InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)/t2-/m0/s1

InChIKey:

UHDMAEPGMOIEHH-REOHCLBHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](Cc1[nH]nnn1)C(O)=O
CACTVS 3.385	N[C@@H](Cc1[nH]nnn1)C(O)=O
OpenEye OEToolkits 2.0.6	C(c1[nH]nnn1)[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.6	C(c1[nH]nnn1)C(C(=O)O)N

Name:

(2~{S})-2-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propanoic acid

ChEMBL:

CHEMBL357426

ZINC:

ZINC000005502359

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).