BioLiP

PDB

BioLiP

PDB CCD ID:

1G2

Number of entries in BioLiP:

Chemical formula:

C9 H9 N3 O2

InChI:

InChI=1S/C9H9N3O2/c10-12-11-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)/t8-/m0/s1

InChIKey:

DIFYSVZHVRAXAV-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-]
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CC(C(=O)O)N=[N+]=[N-]
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C[C@@H](C(=O)O)N=[N+]=[N-]
CACTVS 3.370	OC(=O)[CH](Cc1ccccc1)N=[N+]=[N-]
ACDLabs 12.01	O=C(O)C(/N=[N+]=[N-])Cc1ccccc1

Name:

(2S)-2-azido-3-phenylpropanoic acid

ZINC:

ZINC000098207967

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).