Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B4I3RY
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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]propanamido]-3-phenylpropanoic acid
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| Synonyms |
CHEMBL245918; BDBM50204342
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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 |
C41H66N14O12
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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(=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/C41H66N14O12/c1-21(33(60)52-28(39(66)67)19-25-11-6-5-7-12-25)49-36(63)31(22(2)56)54-37(64)32(23(3)57)53-34(61)26(13-8-16-46-40(42)43)51-35(62)29-15-10-18-55(29)38(65)27(14-9-17-47-41(44)45)50-30(59)20-48-24(4)58/h5-7,11-12,21-23,26-29,31-32,56-57H,8-10,13-20H2,1-4H3,(H,48,58)(H,49,63)(H,50,59)(H,51,62)(H,52,60)(H,53,61)(H,54,64)(H,66,67)(H4,42,43,46)(H4,44,45,47)/t21-,22+,23+,26-,27-,28-,29-,31-,32-/m0/s1
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| InChIKey |
VPBFFTBINAANIU-ULLXEEPRSA-N
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| PubChem Compound ID | ||||
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