Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B9OGL5
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| Binder Name |
(3R,8R,11S,14S,17S,20S,23S,26S,29S,32S)-3-Amino-23-benzyl-20-[(1-carbamimidoylpiperidin-4-yl)methyl]-26-[3-(diaminomethylideneamino)propyl]-11-(1H-indol-3-ylmethyl)-17,29-dimethyl-14-(2-methylpropyl)-2,10,13,16,19,22,25,28,31-nonaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-8-carboxylic acid
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| Synonyms |
CHEMBL3735263; BDBM50499238
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C58H85N17O11S2
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| Canonical SMILES |
C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)N)C(=O)O)CC3=CNC4=CC=CC=C43)CC(C)C)C)CC5CCN(CC5)C(=N)N)CC6=CC=CC=C6)CCCN=C(N)N
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| InChI |
1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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| InChIKey |
OHKHDWZCCRSLRV-GAHVENFSSA-N
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| PubChem Compound ID | ||||
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