BioLiP

PDB

BioLiP

PDB CCD ID:

4II

Number of entries in BioLiP:

Chemical formula:

C9 H10 N4 O2

InChI:

InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8H,5,10H2,(H,14,15)/t8-/m0/s1

InChIKey:

NEMHIKRLROONTL-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1CC(C(=O)O)N)N=[N+]=[N-]
OpenEye OEToolkits 2.0.6	c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=[N-]
CACTVS 3.385	N[C@@H](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O
CACTVS 3.385	N[CH](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O

Name:

(2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid

ZINC:

ZINC000015721946

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).