BioLiP

PDB

BioLiP

PDB CCD ID:

S7G

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2 O

InChI:

InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1

InChIKey:

HCEIEGOMGWEGOJ-SNVBAGLBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(=O)NC1Cc2ccccc2NC1
CACTVS 3.385	CC(=O)N[C@H]1CNc2ccccc2C1
CACTVS 3.385	CC(=O)N[CH]1CNc2ccccc2C1
OpenEye OEToolkits 2.0.6	CC(=O)N[C@@H]1Cc2ccccc2NC1

Name:

~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide

ZINC:

ZINC000019274807

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).