Structure of PDB 6cud Chain A Binding Site BS01 |
| >6cud Chain A (length=704) Species: 9606 (Homo sapiens)
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TSLTAEEERFLDAAEYGNIPVVRKMLEESKTLNVNCVDYMGQNALQLAVG
NEHLEVTELLLKKENLARIGDALLLAISKGYVRIVEAILNHPGFAASKRL
TLSPCEQELQDDDFYAYDEDGTRFSPDITPIILAAHCQKYEVVHMLLMKG
ARIERPHDYFCKCGDCMEKQRHDSFSHSRSRINAYKGLASPAYLSLSSED
PVLTALELSNELAKLANIEKEFKNDYRKLSMQCKDFVVGVLDLCRDSEEV
EAILNGDLEASLSRVKLAIKYEVKKFVAHPNCQQQLLTIWYENLSGLREQ
TIAIKCLVVLVVALGLPFLAIGYWIAPCSRLGKILRSPFMKFVAHAASFI
IFLGLLVFNASDRFEGITTLPNITVTDYPKQIFRVKTTQFTWTEMLIMVW
VLGMMWSECKELWLEGPREYILQLWNVLDFGMLSIFIAAFTARFLAFLQA
TKAQQYVDSYVQESDLSEVTLPPEIQYFTYARDKWLPSDPQIISEGLYAI
AVVLSFSRIAYILPANESFGPLQISLGRTVKDIFKFMVLFIMVFFAFMIG
MFILYSYYLGAKVNAAFTTVEESFKTLFWSIFGLSEVTSVVLKYDHKFIE
NIGYVLYGIYNVTMVVVLLNMLIAMINSSYQEIEDDSDVEWKFARSKLWL
SYFDDNQPTRYQQIMKRLIKRYVLKAQVDKENDEVNEGELKEIKQDISSL
RYEL |
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| Ligand ID | 6OE |
| InChI | InChI=1S/C17H34NO8P/c1-3-5-7-9-16(19)23-13-15(26-17(20)10-8-6-4-2)14-25-27(21,22)24-12-11-18/h15H,3-14,18H2,1-2H3,(H,21,22)/t15-/m0/s1 |
| InChIKey | PELYUHWUVHDSSU-HNNXBMFYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | CCCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC(=O)CCCCC | | CACTVS 3.385 | CCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCC | | ACDLabs 12.01 | NCCOP(=O)(O)OCC(COC(CCCCC)=O)OC(CCCCC)=O | | OpenEye OEToolkits 2.0.4 | CCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCC | | OpenEye OEToolkits 2.0.4 | CCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCC |
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| Formula | C17 H34 N O8 P |
| Name | (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6cud Chain A Residue 901
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