BioLiP

PDB

BioLiP

PDB CCD ID:

BDH

Number of entries in BioLiP:

Chemical formula:

C10 H14 N4 O5

InChI:

InChI=1S/C10H14N4O5/c11-6(9(16)17)2-8(15)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t6-,7-/m0/s1

InChIKey:

KABYBYFUSGXITA-BQBZGAKWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c([nH]cn1)CC(C(=O)O)NC(=O)CC(C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CC(=O)NC(C(=O)O)Cc1cncn1
OpenEye OEToolkits 1.5.0	c1c([nH]cn1)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N
CACTVS 3.341	N[CH](CC(=O)N[CH](Cc1[nH]cnc1)C(O)=O)C(O)=O
CACTVS 3.341	N[C@@H](CC(=O)N[C@@H](Cc1[nH]cnc1)C(O)=O)C(O)=O

Name:

L-BETA-ASPARTYLHISTIDINE

ZINC:

ZINC000002391076

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).