Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BE1LS0
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| Binder Name |
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-5-Carbamimidamido-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-(2-acetamidoacetamido)pentanoyl]pyrrolidin-2-yl]formamido}pentanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-methylbutanamido]-3-phenylpropanoic acid
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| Synonyms |
CHEMBL269244; BDBM50204328
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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 |
C43H70N14O12
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C)O
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| InChI |
1S/C43H70N14O12/c1-22(2)32(37(64)53-29(41(68)69)20-26-12-7-6-8-13-26)54-38(65)34(24(4)59)56-39(66)33(23(3)58)55-35(62)27(14-9-17-48-42(44)45)52-36(63)30-16-11-19-57(30)40(67)28(15-10-18-49-43(46)47)51-31(61)21-50-25(5)60/h6-8,12-13,22-24,27-30,32-34,58-59H,9-11,14-21H2,1-5H3,(H,50,60)(H,51,61)(H,52,63)(H,53,64)(H,54,65)(H,55,62)(H,56,66)(H,68,69)(H4,44,45,48)(H4,46,47,49)/t23-,24-,27+,28+,29+,30+,32+,33+,34+/m1/s1
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| InChIKey |
YUHZTYNRYIJHGL-IFWAYPSCSA-N
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| PubChem Compound ID | ||||
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