Structure of PDB 8sly Chain D Binding Site BS02 |
>8sly Chain D (length=591) Species: 10116 (Rattus norvegicus)
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FDRDRLFSVVSRGVPEELTGLLEYLRWNSKYLTDSAYTEGSTGKTCLMKA VLNLACIMPLLQIDKDSGNPKLLVNAQCTDEFYQGHSALHIAIEKRSLQC VKLLVENGADVHLRACGRFFQKHQGTCFYFGELPLSLAACTKQWDVVTYL LENPHQPASLEATDSLGNTVLHALVMIADNSPENSALVIHMYDGLLQMGA RLCPTVQLEEISNHQGLTPLKLAAKEGKIEIFRHILQREFSGPYQPLSRK FTEWCYGPVRVSLYDLSSVDSWEKNSVLEIIAFHCKSPNRHRMVVLEPLN KLLQEKWDRLVSRFFFNFACYLVYMFIFTVVAYHQPSMLLLGHILILLGG IYLLLGQLWYFWRRRLFIWISFMDSYFEILFLLQALLTVLSQVLRFMETE WYLPLLVLSLVLGWLNLLYYTRGFQHTGIYSVMIQKVILRDLLRFLLVYL VFLFGFAVALVSLSRRSILDASLELFKFTIGMGELAFQEQLRFRGVVLLL LLAYVLLTYVLLLNMLIALMSETVNHVADNSWSIWKLQKAISVLEMENGY WWCRRKKHREGRLLKVGPDERWCFRVEEVNWAAWTLSEDPS |
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Ligand ID | P0T |
InChI | InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1 |
InChIKey | QHMBSVQNZZTUGM-ZWKOTPCHSA-N |
SMILES | Software | SMILES |
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ACDLabs 12.01 | C(=C)(\C)C1C(C=C(C)CC1)c2c(cc(cc2O)CCCCC)O | OpenEye OEToolkits 2.0.6 | CCCCCc1cc(c(c(c1)O)C2C=C(CCC2C(=C)C)C)O | CACTVS 3.385 | CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 | OpenEye OEToolkits 2.0.6 | CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O | CACTVS 3.385 | CCCCCc1cc(O)c([CH]2C=C(C)CC[CH]2C(C)=C)c(O)c1 |
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Formula | C21 H30 O2 |
Name | cannabidiol; (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol |
ChEMBL | CHEMBL190461 |
DrugBank | DB09061 |
ZINC | ZINC000004097406
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PDB chain | 8sly Chain D Residue 801
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Enzyme Commision number |
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