Structure of PDB 7o1w Chain A Binding Site BS03 |
| >7o1w Chain A (length=472) Species: 9606 (Homo sapiens)
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YQEPTDPKFPQQWYLSGVTQRDLNVKAAWAQGYTGHGIVVSILDDGIEKN
HPDLAGNYDPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVANNG
VCGVGVAYNARIGGVRMLDGEVTDAVEARSLGLNPNHIHIYSASWGPEDD
GKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDGYT
NSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQK
CTESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLNAN
DWATNGVGRKVSHSYGYGLLDAGAMVALAQNWTTVAPQRKCIIDILTEPK
DIGKRLEVRKTVTACLGEPNHITRLEHAQARLTLSYNRRGDLAIHLVSPM
GTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPSGEWVLEIENTSEANN
YGTLTKFTLVLYGTASGSLVPR |
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| Ligand ID | UYQ |
| 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 | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | c1c(ccc(c1)/C=N/NC(=[NH2+])N)/C=N/NC(=[NH2+])N | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1C=NNC(=[NH2+])N)C=NNC(=[NH2+])N | | CACTVS 3.385 | NC(=[NH2+])NN=Cc1ccc(cc1)C=NNC(N)=[NH2+] | | CACTVS 3.385 | NC(=[NH2+])N\N=C\c1ccc(cc1)\C=N\NC(N)=[NH2+] |
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| Formula | C10 H16 N8 |
| Name | [[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7o1w Chain A Residue 603
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