BioLiP

PDB

BioLiP

PDB CCD ID:

N7P

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O3

InChI:

InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1

InChIKey:

GNMSLDIYJOSUSW-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N1CCC[CH]1C(O)=O
CACTVS 3.385	CC(=O)N1CCC[C@H]1C(O)=O
ACDLabs 12.01	OC(=O)C1N(C(=O)C)CCC1
OpenEye OEToolkits 2.0.5	CC(=O)N1CCC[C@H]1C(=O)O
OpenEye OEToolkits 2.0.5	CC(=O)N1CCCC1C(=O)O

Name:

1-ACETYL-L-PROLINE;
N-ACETYLPROLINE

ChEMBL:

CHEMBL1234599

DrugBank:

DB03360

ZINC:

ZINC000000119664

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).