BioLiP

PDB

BioLiP

PDB CCD ID:

JEV

Number of entries in BioLiP:

Chemical formula:

C16 H21 N O2

InChI:

InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1

InChIKey:

YLXDSYKOBKBWJQ-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3
OpenEye OEToolkits 2.0.6	CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3
CACTVS 3.385	CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12
ACDLabs 12.01	C(NC(CC)=O)CC3CCc2ccc1OCCc1c23
CACTVS 3.385	CCC(=O)NCC[CH]1CCc2ccc3OCCc3c12

Name:

N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide;
Ramelteon

ChEMBL:

CHEMBL1218

DrugBank:

DB00980

ZINC:

ZINC000003960338

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).