Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BJNW78
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| Binder Name |
(4S)-4-[[(2S)-2-Amino-3-carboxypropanoyl]amino]-5-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2R)-2-[[(1R)-3-(4-propan-2-ylphenyl)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propyl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL262398; BDBM50120306
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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 |
C46H71BN6O11
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| Canonical SMILES |
B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CCC4=CC=C(C=C4)C(C)C)NC(=O)[C@H]5CCCN5C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N
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| InChI |
1S/C46H71BN6O11/c1-24(2)28-15-12-27(13-16-28)14-18-35(47-63-34-22-29-21-33(45(29,7)8)46(34,9)64-47)50-42(60)32-11-10-20-53(32)44(62)39(26(5)6)52-43(61)38(25(3)4)51-41(59)31(17-19-36(54)55)49-40(58)30(48)23-37(56)57/h12-13,15-16,24-26,29-35,38-39H,10-11,14,17-23,48H2,1-9H3,(H,49,58)(H,50,60)(H,51,59)(H,52,61)(H,54,55)(H,56,57)/t29-,30-,31-,32+,33-,34+,35-,38-,39-,46-/m0/s1
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| InChIKey |
SQFZQANUUQNKOW-RJKVPWIASA-N
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| PubChem Compound ID | ||||
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