BioLiP

PDB

BioLiP

PDB CCD ID:

A1EM0

Number of entries in BioLiP:

Chemical formula:

C20 H22 N2 O2

InChI:

InChI=1S/C20H22N2O2/c23-20(21-12-14-24-15-13-21)22-11-10-16-6-4-5-9-18(16)19(22)17-7-2-1-3-8-17/h1-9,19H,10-15H2/t19-/m0/s1

InChIKey:

VOGZCMDZLOIFPN-IBGZPJMESA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(N1CCOCC1)N2CCc3ccccc3[C@@H]2c4ccccc4
CACTVS 3.385	O=C(N1CCOCC1)N2CCc3ccccc3[CH]2c4ccccc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@H]2c3ccccc3CCN2C(=O)N4CCOCC4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2c3ccccc3CCN2C(=O)N4CCOCC4

Name:

morpholin-4-yl-[(1~{S})-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone

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).