BioLiP

PDB

BioLiP

PDB CCD ID:

9PL

Number of entries in BioLiP:

Chemical formula:

C11 H16 N2 O2

InChI:

InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1

InChIKey:

QCHFTSOMWOSFHM-WPRPVWTQSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC[CH]1[CH](COC1=O)Cc2cncn2C
CACTVS 3.370 OpenEye OEToolkits 1.7.2	CC[C@H]1[C@H](COC1=O)Cc2cncn2C
OpenEye OEToolkits 1.7.2	CCC1C(COC1=O)Cc2cncn2C
ACDLabs 12.01	O=C2OCC(Cc1n(cnc1)C)C2CC

Name:

(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one;
PILOCARPINE

ChEMBL:

CHEMBL550

DrugBank:

DB01085

ZINC:

ZINC000000075008

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).