BioLiP

PDB

BioLiP

PDB CCD ID:

L6B

Number of entries in BioLiP:

Chemical formula:

C15 H18 N2 O4

InChI:

InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,8-9H,2-3,5-7H2,1H3,(H,16,19)(H,17,20)/b8-4+

InChIKey:

JTDAYDBLAIIQAZ-XBXARRHUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)C/C=C/NC(=O)C1=CC2=C(CCCC2)NC1=O
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O

Name:

methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate

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).