BioLiP

PDB

BioLiP

PDB CCD ID:

2UA

Number of entries in BioLiP:

Chemical formula:

C12 H20 N2 O2

InChI:

InChI=1S/C12H20N2O2/c13-10(3-4-11(15)8-1-2-8)7-9-5-6-14-12(9)16/h8-10H,1-7,13H2,(H,14,16)/t9-,10+/m0/s1

InChIKey:

HBVSUDZBPRBVRU-VHSXEESVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C1CNC(=O)[C@@H]1C[C@@H](CCC(=O)C2CC2)N
OpenEye OEToolkits 1.7.0	C1CC1C(=O)CCC(CC2CCNC2=O)N
CACTVS 3.370	N[CH](CCC(=O)C1CC1)C[CH]2CCNC2=O
ACDLabs 12.01	O=C1NCCC1CC(N)CCC(=O)C2CC2
CACTVS 3.370	N[C@H](CCC(=O)C1CC1)C[C@@H]2CCNC2=O

Name:

(3S)-3-[(2R)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one

ZINC:

ZINC000098208290

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).