BioLiP

PDB

BioLiP

PDB CCD ID:

A1BPF

Number of entries in BioLiP:

Chemical formula:

C15 H20 N2 O3

InChI:

InChI=1S/C15H20N2O3/c16-13(18)11-3-1-7-17(9-11)14(19)15(5-2-6-15)12-4-8-20-10-12/h4,8,10-11H,1-3,5-7,9H2,(H2,16,18)/t11-/m0/s1

InChIKey:

GKBXREDGVWBKIB-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)[C@H]1CCCN(C1)C(=O)C2(CCC2)c3cocc3
CACTVS 3.385	NC(=O)[CH]1CCCN(C1)C(=O)C2(CCC2)c3cocc3
OpenEye OEToolkits 3.1.0.0	c1cocc1C2(CCC2)C(=O)N3CCCC(C3)C(=O)N
OpenEye OEToolkits 3.1.0.0	c1cocc1C2(CCC2)C(=O)N3CCC[C@@H](C3)C(=O)N
ACDLabs 14.52	NC(=O)C1CCCN(C1)C(=O)C1(CCC1)c1ccoc1

Name:

(3S)-1-[1-(furan-3-yl)cyclobutane-1-carbonyl]piperidine-3-carboxamide

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).