Structure of PDB 8wor Chain A Binding Site BS06 |
| >8wor Chain A (length=647) Species: 9606 (Homo sapiens)
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PRRDPFDAARGADFDHVYSGVVNLSTENIYSFNYTSQPDQVTAVRVYVNS
SSENLNYPVLVVVRQQKEVLSWQVPLLFQGLYQRSYNYQEVSRTLCPSEA
TNETGPLQQLIFVDVASMAPLGAQYKLLVTKLKHFQLRTNVAFHFTASPS
QPQYFLYKFPKDVDSVIIKVVSEMAYPCSVVSVQNIMCPVYDLDHNVEFN
GVYQSMTKKAAITLQKKDFPGEQFFVVFVIKPEDYACGGSFFIQEKENNL
QRKKNLEVTIVPSIKESVYVKSSLFSVFIFLSFYLGCLLVGFVHYLRFQR
KKYKIYFWNIITIAVFYALPVIQLVITYQTVVNVTGNQDICYYNFLCAHP
LGVLSAFNNILSNLGHVLLGFLFLLIVLRRDILHRRALEPKHFGLFYAMG
IALMMEGVLSACYHVCPNYSNFQFDTSFMYMIAGLCMLKLYQTRHPDINA
SAYSAYASFAVVIMVTVLGVVFGKNDVWFWVIFSAIHVLASLALSTQIYY
MYMDRMVLLVVGNLVNWSFALFGLIYRPRDFASYMLGIFICNLLLYLAFY
IIMKLRSSEKVLPVPLFCIVATAVMWAAALYFFFQNLSSWEGTPAESREK
NRECILLDFFDDHDIWHFLSATALFFSFLVLLTLDDDLDVVRRDQIP |
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| Ligand ID | SPL |
| InChI | InChI=1S/C26H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h19,21,24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/t24?,25-/m1/s1 |
| InChIKey | APDLCSPGWPLYEQ-WUBHUQEYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCCCC | | CACTVS 3.341 | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCC | | ACDLabs 10.04 | O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCC | | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCC)O | | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCC=C[C@H](C(CO)NC(=O)CCCCCCC)O |
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| Formula | C26 H51 N O3 |
| Name | OCTANOIC ACID (2-HYDROXY-1-HYDROXYMETHYL-HEPTADEC-3-ENYL)-AMIDE;
CERAMIDE |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8wor Chain A Residue 912
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