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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: UYQ
Number of entries in BioLiP: 6
Chemical formula: C10 H16 N8
InChI: InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/p+2/b15-5+,16-6+
InChIKey: DJQYBCUFGZTQSR-IAGONARPSA-P
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(ccc(c1)/C=N/NC(=[NH2+])N)/C=N/NC(=[NH2+])N
OpenEye OEToolkits 2.0.7c1cc(ccc1C=NNC(=[NH2+])N)C=NNC(=[NH2+])N
CACTVS 3.385NC(=[NH2+])NN=Cc1ccc(cc1)C=NNC(N)=[NH2+]
CACTVS 3.385NC(=[NH2+])N\N=C\c1ccc(cc1)\C=N\NC(N)=[NH2+]
Name:[[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium

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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