BioLiP

PDB

BioLiP

PDB CCD ID:

XA6

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O3

InChI:

InChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m0/s1

InChIKey:

OZVAXCWACWDNIQ-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](Cc1ccc(cc1)C(N)=O)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc(ccc1CC(C(=O)O)N)C(=O)N
CACTVS 3.385	N[CH](Cc1ccc(cc1)C(N)=O)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc(ccc1C[C@@H](C(=O)O)N)C(=O)N

Name:

(2S)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid

ZINC:

ZINC000002575618

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).