BioLiP

PDB

BioLiP

PDB CCD ID:

NQR

Number of entries in BioLiP:

Chemical formula:

C18 H18 N2 O2

InChI:

InChI=1S/C18H18N2O2/c1-12-14-11-16(18(21)20-9-5-2-6-10-20)22-17(14)13-7-3-4-8-15(13)19-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3

InChIKey:

CKBASHMUSIQRHS-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCCCC1
OpenEye OEToolkits 2.0.7	Cc1c2cc(oc2c3ccccc3n1)C(=O)N4CCCCC4
CACTVS 3.385	Cc1nc2ccccc2c3oc(cc13)C(=O)N4CCCCC4

Name:

(4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone

ZINC:

ZINC000004902118

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).