BioLiP

PDB

BioLiP

PDB CCD ID:

A1CCR

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O2

InChI:

InChI=1S/C9H12N2O2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)/t8-/m0/s1

InChIKey:

KHZVLGLEHBZEPO-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NN[CH](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)C[C@@H](C(=O)O)NN
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)CC(C(=O)O)NN
CACTVS 3.385	NN[C@@H](Cc1ccccc1)C(O)=O
ACDLabs 14.52	O=C(O)C(NN)Cc1ccccc1

Name:

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

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).