BioLiP

PDB

BioLiP

PDB CCD ID:

03A

Number of entries in BioLiP:

Chemical formula:

C9 H16 N2 O2

InChI:

InChI=1S/C9H16N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h6-7H,2-5,10H2,1H3,(H,11,13)/t7-/m0/s1

InChIKey:

FTXZHTIVOPMXBI-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CCC[C@H](N)C(=O)C(=O)NC1CC1
ACDLabs 12.01	O=C(C(=O)NC1CC1)C(N)CCC
OpenEye OEToolkits 1.7.2	CCCC(C(=O)C(=O)NC1CC1)N
CACTVS 3.370	CCC[CH](N)C(=O)C(=O)NC1CC1

Name:

(3S)-3-amino-N-cyclopropyl-2-oxohexanamide

ZINC:

ZINC000098207753

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).