BioLiP

PDB

BioLiP

PDB CCD ID:

A1I17

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O

InChI:

InChI=1S/C10H12N2O/c11-10(13)9-6-5-7-3-1-2-4-8(7)12-9/h1-4,9,12H,5-6H2,(H2,11,13)/t9-/m1/s1

InChIKey:

OFBPSKIFXNJCAG-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)CCC(N2)C(=O)N
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)CC[C@@H](N2)C(=O)N
CACTVS 3.385	NC(=O)[C@H]1CCc2ccccc2N1
CACTVS 3.385	NC(=O)[CH]1CCc2ccccc2N1

Name:

(2~{R})-1,2,3,4-tetrahydroquinoline-2-carboxamide

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).