BioLiP

PDB

BioLiP

PDB CCD ID:

3ZA

Number of entries in BioLiP:

Chemical formula:

C9 H16 N2 O6

InChI:

InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1

InChIKey:

YWTXUGAXXGHUOR-RITPCOANSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CN(O)C(=O)CC[CH](C[CH](N)C(O)=O)C(O)=O
CACTVS 3.370	CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
ACDLabs 12.01	O=C(N(O)C)CCC(C(=O)O)CC(C(=O)O)N
OpenEye OEToolkits 1.7.6	CN(C(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O)O
OpenEye OEToolkits 1.7.6	CN(C(=O)CCC(CC(C(=O)O)N)C(=O)O)O

Name:

(4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid

ChEMBL:

CHEMBL2312403

ZINC:

ZINC000095596091

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).