BioLiP

PDB

BioLiP

PDB CCD ID:

S9G

Number of entries in BioLiP:

Chemical formula:

C13 H20 N2 O3

InChI:

InChI=1S/C13H20N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h10-11H,1-9H2/t11-/m0/s1

InChIKey:

RBEMQVNGNRWSFG-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(C1CC1)N2CCN(CC2)C(=O)[C@@H]3CCCO3
OpenEye OEToolkits 2.0.6	C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C3CC3
CACTVS 3.385	O=C(C1CC1)N2CCN(CC2)C(=O)[CH]3CCCO3
OpenEye OEToolkits 2.0.6	C1C[C@H](OC1)C(=O)N2CCN(CC2)C(=O)C3CC3

Name:

cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone

ZINC:

ZINC000041245151

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).