Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5E9BT
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| Ligand Name |
(1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-Methyl-1-[(2r)-6-Methyl-6-Oxidanyl-Heptan-2-Yl]-2,3,3a,5,6,7-Hexahydro-1h-Inden-4-Ylidene]ethylidene]-4-Methylidene-2-[2-(1,2,3,4-Tetrazol-2-Yl)ethyl]cyclohexane-1,3-Diol
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| Synonyms |
CHEMBL2407821; (1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-Methyl-1-[(2r)-6-Methyl-6-Oxidanyl-Heptan-2-Yl]-2,3,3a,5,6,7-Hexahydro-1h-Inden-4-Ylidene]ethylidene]-4-Methylidene-2-[2-(1,2,3,4-Tetrazol-2-Yl)ethyl]cyclohexane-1,3-Diol; BDBM50437338; J3.548.893F; Q27466182; 2alpha-[2-(2H-Tetrazole-2-yl)ethyl]-1alpha,25-dihydroxycholecalciferol; (1R,3aalpha)-1beta-[(1R)-1,5-Dimethyl-5-hydroxyhexyl]-4-[2-[(3S)-2-methylene-3beta,5alpha-dihydroxy-4beta-[2-(2H-tetrazole-2-yl)ethyl]cyclohexane-1-ylidene]ethylidene]-7abeta-methylhydrindane; TEY
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| Structure |
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Download2D MOL |
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| Formula |
C30H48N4O3
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| Canonical SMILES |
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)CCN4N=CN=N4)O)C
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| InChI |
1S/C30H48N4O3/c1-20(8-6-15-29(3,4)37)25-12-13-26-22(9-7-16-30(25,26)5)10-11-23-18-27(35)24(28(36)21(23)2)14-17-34-32-19-31-33-34/h10-11,19-20,24-28,35-37H,2,6-9,12-18H2,1,3-5H3/b22-10+,23-11-/t20-,24+,25-,26+,27-,28-,30-/m1/s1
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| InChIKey |
IFHRQILUGOUOIV-YVUZACRZSA-N
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| PubChem Compound ID | ||||
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