BioLiP

PDB

BioLiP

PDB CCD ID:

1E1

Number of entries in BioLiP:

Chemical formula:

C7 H14 N2 O2

InChI:

InChI=1S/C7H14N2O2/c8-5(3-4-1-2-4)6(10)7(9)11/h4-6,10H,1-3,8H2,(H2,9,11)/t5-,6+/m0/s1

InChIKey:

NONOXCXVTONWED-NTSWFWBYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@@H](CC1CC1)[C@@H](O)C(N)=O
OpenEye OEToolkits 1.7.6	C1CC1CC(C(C(=O)N)O)N
CACTVS 3.370	N[CH](CC1CC1)[CH](O)C(N)=O
OpenEye OEToolkits 1.7.6	C1CC1C[C@@H]([C@H](C(=O)N)O)N
ACDLabs 12.01	O=C(N)C(O)C(N)CC1CC1

Name:

(2R,3S)-3-amino-4-cyclopropyl-2-hydroxybutanamide

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).