Structure of PDB 3ogl Chain B Binding Site BS02 |
| >3ogl Chain B (length=568) Species: 3702 (Arabidopsis thaliana)
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SCVATVDDVIEQVMTYITDPKDRDSASLVCRRWFKIDSETREHVTMALCY
TATPDRLSRRFPNLRSLKLKGKPRAAMFNLIPENWGGYVTPWVTEISNNL
RQLKSVHFRRMIVSDLDLDRLAKARADDLETLKLDKCSGFTTDGLLSIVT
HCRKIKTLLMEESSFSEKDGKWLHELAQHNTSLEVLNFYMTEFAKISPKD
LETIARNCRSLVSVKVGDFEILELVGFFKAAANLEEFCGGSLNEDIGMPE
KYMNLVFPRKLCRLGLSYMGPNEMPILFPFAAQIRKLDLLYALLETEDHC
TLIQKCPNLEVLETRNVIGDRGLEVLAQYCKQLKRLRIERGADEQGMEDE
EGLVSQRGLIALAQGCQELEYMAVYVSDITNESLESIGTYLKNLCDFRLV
LLDREERITDLPLDNGVRSLLIGCKKLRRFAFYLRQGGLTDLGLSYIGQY
SPNVRWMLLGYVGESDEGLMEFSRGCPNLQKLEMRGCCFSERAIAAAVTK
LPSLRYLWVQGYRASMTGQDLMQMARPYWNIELIPSRREHPAHILAYYSL
AGQRTDCPTTVRVLKEPI |
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| Ligand ID | 7JA |
| InChI | InChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14-,17-/m0/s1 |
| InChIKey | IBZYPBGPOGJMBF-QPERPISQSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | O=C(NC(C(=O)O)C(C)CC)CC1CCC(=O)C1C\C=C/CC | | CACTVS 3.370 | CC\C=C/C[C@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(O)=O | | OpenEye OEToolkits 1.7.0 | CCC=CCC1C(CCC1=O)CC(=O)NC(C(C)CC)C(=O)O | | OpenEye OEToolkits 1.7.0 | CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O | | CACTVS 3.370 | CCC=CC[CH]1[CH](CCC1=O)CC(=O)N[CH]([CH](C)CC)C(O)=O |
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| Formula | C18 H29 N O4 |
| Name | N-({(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 3ogl Chain B Residue 1100
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