BioLiP

PDB

BioLiP

PDB CCD ID:

PT3

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O5

InChI:

InChI=1S/C7H13NO5/c1-2-3-8-6(11)4(9)5(10)7(12)13/h4-5,9-10H,2-3H2,1H3,(H,8,11)(H,12,13)/t4-,5-/m1/s1

InChIKey:

LNEZKQHJUNIZIS-RFZPGFLSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCNC(=O)[C@@H]([C@H](C(=O)O)O)O
OpenEye OEToolkits 1.5.0	CCCNC(=O)C(C(C(=O)O)O)O
CACTVS 3.341	CCCNC(=O)[CH](O)[CH](O)C(O)=O
CACTVS 3.341	CCCNC(=O)[C@H](O)[C@@H](O)C(O)=O
ACDLabs 10.04	O=C(NCCC)C(O)C(O)C(=O)O

Name:

N-PROPYL-TARTRAMIC ACID

DrugBank:

DB03390

ZINC:

ZINC000002043169

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).