Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BQK85A
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| Binder Name |
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-Acetamido-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
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| Synonyms |
CHEMBL1790920
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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 |
C47H65N9O16
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| Canonical SMILES |
C[C@@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C)O
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| InChI |
1S/C47H65N9O16/c1-23(2)18-31(55-46(70)38(27(6)57)56-45(69)32(51-28(7)58)19-29-14-10-8-11-15-29)43(67)54-34(21-36(59)60)42(66)49-25(4)40(64)52-35(22-37(61)62)44(68)53-33(20-30-16-12-9-13-17-30)41(65)48-24(3)39(63)50-26(5)47(71)72/h8-17,23-27,31-35,38,57H,18-22H2,1-7H3,(H,48,65)(H,49,66)(H,50,63)(H,51,58)(H,52,64)(H,53,68)(H,54,67)(H,55,70)(H,56,69)(H,59,60)(H,61,62)(H,71,72)/t24-,25-,26-,27-,31-,32-,33-,34-,35-,38-/m0/s1
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| InChIKey |
BRZLNQDFVIBAQH-HRLMDGKSSA-N
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| PubChem Compound ID | ||||
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