Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BTVA78
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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-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid
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| Synonyms |
CHEMBL437750; BDBM50204334
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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 |
C49H71N15O12
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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](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C)O
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| InChI |
1S/C49H71N15O12/c1-26(65)39(44(72)60-35(23-30-24-57-32-15-8-7-14-31(30)32)42(70)61-36(47(75)76)22-29-12-5-4-6-13-29)63-45(73)40(27(2)66)62-41(69)33(16-9-19-54-48(50)51)59-43(71)37-18-11-21-64(37)46(74)34(17-10-20-55-49(52)53)58-38(68)25-56-28(3)67/h4-8,12-15,24,26-27,33-37,39-40,57,65-66H,9-11,16-23,25H2,1-3H3,(H,56,67)(H,58,68)(H,59,71)(H,60,72)(H,61,70)(H,62,69)(H,63,73)(H,75,76)(H4,50,51,54)(H4,52,53,55)/t26-,27-,33+,34+,35+,36+,37+,39+,40+/m1/s1
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| InChIKey |
ADLGLEJMPIMZRI-GMARCOJVSA-N
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| PubChem Compound ID | ||||
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