Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B6CR2N
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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-imidazol-5-yl)propanamido]-3-phenylpropanoic acid
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| Synonyms |
CHEMBL394715; BDBM50204341
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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 |
C44H68N16O12
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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=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C)O
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| InChI |
1S/C44H68N16O12/c1-23(61)34(39(68)56-30(19-27-20-49-22-53-27)37(66)57-31(42(71)72)18-26-10-5-4-6-11-26)59-40(69)35(24(2)62)58-36(65)28(12-7-15-50-43(45)46)55-38(67)32-14-9-17-60(32)41(70)29(13-8-16-51-44(47)48)54-33(64)21-52-25(3)63/h4-6,10-11,20,22-24,28-32,34-35,61-62H,7-9,12-19,21H2,1-3H3,(H,49,53)(H,52,63)(H,54,64)(H,55,67)(H,56,68)(H,57,66)(H,58,65)(H,59,69)(H,71,72)(H4,45,46,50)(H4,47,48,51)/t23-,24-,28+,29+,30+,31+,32+,34+,35+/m1/s1
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| InChIKey |
DZYIHFXYKUGDBP-XNDRKXIHSA-N
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| PubChem Compound ID | ||||
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