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BioLiP

PDB CCD ID: B3U
Number of entries in BioLiP: 2
Chemical formula: C6 H10 N4 O2
InChI: InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
InChIKey: UYEGXSNFZXWSDV-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](Cc1[nH]c(N)nc1)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc1cnc(N)n1
OpenEye OEToolkits 1.7.0c1c([nH]c(n1)N)CC(C(=O)O)N
OpenEye OEToolkits 1.7.0c1c([nH]c(n1)N)C[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](Cc1[nH]c(N)nc1)C(O)=O
Name:2-amino-L-histidine
ChEMBL: CHEMBL1099167
ZINC: ZINC000026286704
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).
  • 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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