BioLiP

PDB

BioLiP

PDB CCD ID:

12N

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O3

InChI:

InChI=1S/C8H15NO3/c9-6(7(10)8(11)12)4-5-2-1-3-5/h5-7,10H,1-4,9H2,(H,11,12)/t6-,7+/m0/s1

InChIKey:

GKGGRKROASKKFG-NKWVEPMBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1CC(C1)C[C@@H]([C@H](C(=O)O)O)N
ACDLabs 12.01	O=C(O)C(O)C(N)CC1CCC1
CACTVS 3.370	N[C@@H](CC1CCC1)[C@@H](O)C(O)=O
OpenEye OEToolkits 1.7.6	C1CC(C1)CC(C(C(=O)O)O)N
CACTVS 3.370	N[CH](CC1CCC1)[CH](O)C(O)=O

Name:

(2R,3S)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid

ZINC:

ZINC000098207911

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).