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BioLiP Library

PDB CCD ID: BDH
Number of entries in BioLiP: 2
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c([nH]cn1)CC(C(=O)O)NC(=O)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(=O)NC(C(=O)O)Cc1cncn1
OpenEye OEToolkits 1.5.0c1c([nH]cn1)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CC(=O)N[CH](Cc1[nH]cnc1)C(O)=O)C(O)=O
CACTVS 3.341N[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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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