Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BQ9L6R
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| Binder Name |
(S)-2-{[(2S,4R)-1-((S)-2-{(S)-2-[(R)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-2-cyclohexyl-acetylamino}-3-methyl-butyryl)-4-(naphthalen-2-ylmethoxy)-pyrrolidine-2-carbonyl]-amino}-pentanoic acid
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| Synonyms |
CHEMBL432156; BDBM50093010; Ac-D-CyclohexylGly-V-Naphthenylmethoxypro-Nva-OH; Ac-Asp-D-Glu-Cyclohexylglycine-Val-[(4R)-naphthenylmethoxyproline]-Norvaline-OH; Ac-L-Asp-D-Glu-[(S)-2-Cyclohexyl-Gly-]-L-Val-4beta-(2-naphthylmethoxy)-L-Pro-L-Nva-OH
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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 |
C45H62N6O13
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| Canonical SMILES |
CCC[C@@H](C(=O)O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)OCC3=CC4=CC=CC=C4C=C3
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| InChI |
1S/C45H62N6O13/c1-5-11-33(45(62)63)48-42(59)35-21-31(64-24-27-16-17-28-12-9-10-15-30(28)20-27)23-51(35)44(61)38(25(2)3)49-43(60)39(29-13-7-6-8-14-29)50-40(57)32(18-19-36(53)54)47-41(58)34(22-37(55)56)46-26(4)52/h9-10,12,15-17,20,25,29,31-35,38-39H,5-8,11,13-14,18-19,21-24H2,1-4H3,(H,46,52)(H,47,58)(H,48,59)(H,49,60)(H,50,57)(H,53,54)(H,55,56)(H,62,63)/t31-,32-,33+,34+,35+,38+,39+/m1/s1
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| InChIKey |
RDDUFBHDGJRHTC-DXWUVSIASA-N
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| PubChem Compound ID | ||||
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