SEQ2FUN

BioLiP

PDB CCD ID: HIA
Number of entries in BioLiP: 0
Chemical formula: C6 H10 N4 O
InChI: InChI=1S/C6H10N4O/c7-5(6(8)11)1-4-2-9-3-10-4/h2-3,5H,1,7H2,(H2,8,11)(H,9,10)/t5-/m0/s1
InChIKey: UMMQVDUMUMBTAV-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c([nH]cn1)CC(C(=O)N)N
CACTVS 3.341N[C@@H](Cc1[nH]cnc1)C(N)=O
ACDLabs 10.04O=C(N)C(N)Cc1cncn1
OpenEye OEToolkits 1.5.0c1c([nH]cn1)C[C@@H](C(=O)N)N
CACTVS 3.341N[CH](Cc1[nH]cnc1)C(N)=O
Name:L-HISTIDINE AMIDE;
L-HISTIDINAMIDE
ZINC: ZINC000005955080
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).