BioLiP

PDB

BioLiP

PDB CCD ID:

40F

Number of entries in BioLiP:

Chemical formula:

C8 H11 N O4

InChI:

InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1

InChIKey:

VTAARTQTOOYTES-RGDLXGNYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C1C2CCC(C(=O)O)(N)C12
OpenEye OEToolkits 1.9.2	C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N
OpenEye OEToolkits 1.9.2	C1CC(C2C1C2C(=O)O)(C(=O)O)N
CACTVS 3.385	N[C]1(CC[CH]2[CH]([CH]12)C(O)=O)C(O)=O
CACTVS 3.385	N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O

Name:

(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

ChEMBL:

CHEMBL8759

ZINC:

ZINC000003824390

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).