Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BB67TI
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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-phenoxyphenyl)-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 |
CHEMBL413150; BDBM50120293
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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 |
C49H69BN6O12
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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)OC5=CC=CC=C5)NC(=O)[C@H]6CCCN6C(=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/C49H69BN6O12/c1-27(2)41(54-44(62)34(20-22-39(57)58)52-43(61)33(51)26-40(59)60)46(64)55-42(28(3)4)47(65)56-23-11-14-35(56)45(63)53-38(50-67-37-25-30-24-36(48(30,5)6)49(37,7)68-50)21-17-29-15-18-32(19-16-29)66-31-12-9-8-10-13-31/h8-10,12-13,15-16,18-19,27-28,30,33-38,41-42H,11,14,17,20-26,51H2,1-7H3,(H,52,61)(H,53,63)(H,54,62)(H,55,64)(H,57,58)(H,59,60)/t30-,33-,34-,35+,36-,37+,38-,41-,42-,49-/m0/s1
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| InChIKey |
DXPGMMXRSXDODO-DSUVQJOGSA-N
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| PubChem Compound ID | ||||
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