Structure of PDB 4ryv Chain A Binding Site BS03 |
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Ligand ID | ZEA |
InChI | InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+ |
InChIKey | UZKQTCBAMSWPJD-FARCUNLSSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.7.5 | CC(=CCNc1c2c([nH]cn2)ncn1)CO | OpenEye OEToolkits 1.7.5 | C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO | CACTVS 3.385 | CC(/CO)=C\CNc1ncnc2[nH]cnc12 | CACTVS 3.385 | CC(CO)=CCNc1ncnc2[nH]cnc12 | ACDLabs 10.04 | n2c1c(ncn1)c(nc2)NC\C=C(/C)CO |
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Formula | C10 H13 N5 O |
Name | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol; TRANS-ZEATIN |
ChEMBL | CHEMBL525239 |
DrugBank | DB11337 |
ZINC | ZINC000004492895
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PDB chain | 4ryv Chain A Residue 203
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