Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B5UHQ4
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid
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| Synonyms |
CHEMBL3407791; BDBM50070033
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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 |
C45H64N10O15
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| Canonical SMILES |
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)N
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| InChI |
1S/C45H64N10O15/c1-22(2)36(43(67)52-31(20-34(48)59)40(64)53-32(21-56)42(66)49-28(45(69)70)15-17-35(60)61)55-44(68)37(23(3)4)54-41(65)30(19-25-10-12-26(57)13-11-25)51-39(63)29(18-24-8-6-5-7-9-24)50-38(62)27(46)14-16-33(47)58/h5-13,22-23,27-32,36-37,56-57H,14-21,46H2,1-4H3,(H2,47,58)(H2,48,59)(H,49,66)(H,50,62)(H,51,63)(H,52,67)(H,53,64)(H,54,65)(H,55,68)(H,60,61)(H,69,70)/t27-,28-,29-,30-,31-,32-,36-,37-/m0/s1
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| InChIKey |
IUNMMSQGPXQREV-OHBZYFOKSA-N
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| PubChem Compound ID | ||||
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