BioLiP

PDB

BioLiP

PDB CCD ID:

API

Number of entries in BioLiP:

Chemical formula:

C7 H14 N2 O4

InChI:

InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+

InChIKey:

GMKMEZVLHJARHF-SYDPRGILSA-N

SMILES:

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

Name:

2,6-DIAMINOPIMELIC ACID

ChEMBL:

CHEMBL415306

ZINC:

ZINC000001532722

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).