BioLiP

PDB

BioLiP

PDB CCD ID:

ROL

Number of entries in BioLiP:

Chemical formula:

C16 H21 N O3

InChI:

InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1

InChIKey:

HJORMJIFDVBMOB-LBPRGKRZSA-N

SMILES:

Software	SMILES
CACTVS 3.341	COc1ccc(cc1OC2CCCC2)[C@@H]3CNC(=O)C3
OpenEye OEToolkits 1.5.0	COc1ccc(cc1OC2CCCC2)C3CC(=O)NC3
OpenEye OEToolkits 1.5.0	COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3
CACTVS 3.341	COc1ccc(cc1OC2CCCC2)[CH]3CNC(=O)C3
ACDLabs 10.04	O=C3NCC(c2cc(OC1CCCC1)c(OC)cc2)C3

Name:

ROLIPRAM;
(4R)-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]-2-PYRROLIDINONE

ChEMBL:

CHEMBL430893

DrugBank:

DB04149

ZINC:

ZINC000000004982

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).