BioLiP

PDB

BioLiP

PDB CCD ID:

G8M

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O4

InChI:

InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1

InChIKey:

SRAFHGOPGVYULO-WISUUJSJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1CC(C1C(C(=O)O)N)C(=O)O
CACTVS 3.370	N[C@@H]([C@@H]1CC[C@@H]1C(O)=O)C(O)=O
ACDLabs 12.01	O=C(O)C(N)C1CCC1C(=O)O
OpenEye OEToolkits 1.7.6	C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370	N[CH]([CH]1CC[CH]1C(O)=O)C(O)=O

Name:

(1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid;
(2S,1'R,2'S)-2-(2'-carboxycyclobutyl)glycine

ChEMBL:

CHEMBL384474

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).