BioLiP

PDB

BioLiP

PDB CCD ID:

OHM

Number of entries in BioLiP:

Chemical formula:

C16 H28 N2 O3

InChI:

InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)18-14-10-11-17-16(14)21/h14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1

InChIKey:

VEYZCVBECUYIJZ-AWEZNQCLSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1NCCC1NC(=O)CC(=O)CCCCCCCCC
CACTVS 3.341	CCCCCCCCCC(=O)CC(=O)N[CH]1CCNC1=O
OpenEye OEToolkits 1.5.0	CCCCCCCCCC(=O)CC(=O)NC1CCNC1=O
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O

Name:

3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE

ChEMBL:

CHEMBL1234965

DrugBank:

DB08323

ZINC:

ZINC000053683081

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).