BioLiP

PDB

BioLiP

PDB CCD ID:

RIN

Number of entries in BioLiP:

Chemical formula:

C12 H24 N2 O

InChI:

InChI=1S/C12H24N2O/c13-11-9-7-5-3-1-2-4-6-8-10-14-12(11)15/h11H,1-10,13H2,(H,14,15)/t11-/m0/s1

InChIKey:

CQZLEYBEPASILI-NSHDSACASA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1NCCCCCCCCCCC1N
CACTVS 3.341	N[C@H]1CCCCCCCCCCNC1=O
OpenEye OEToolkits 1.5.0	C1CCCCCNC(=O)C(CCCC1)N
CACTVS 3.341	N[CH]1CCCCCCCCCCNC1=O
OpenEye OEToolkits 1.5.0	C1CCCCCNC(=O)[C@H](CCCC1)N

Name:

3-AMINO-AZACYCLOTRIDECAN-2-ONE

DrugBank:

DB08476

ZINC:

ZINC000005840837

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).