Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B4E1BT
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| Binder Name |
(3S,4S)-4-((2S,3R)-2-(2-(4-(2-((2S)-1-((2R)-6-Amino-1-(4-(6-methoxyquinolin-8-ylamino)pentylamino)-1-oxohexan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-oxoethyl)phenyl)acetamido)-3-methylpentanamido)-N-butyl-3-hydroxy-6-methylheptanamide
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| Synonyms |
CHEMBL538889; BDBM50297450
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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 |
C54H85N9O8
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| Canonical SMILES |
CCCCNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)CC)NC(=O)CC1=CC=C(C=C1)CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCCCN)C(=O)NCCCC(C)NC2=C3C(=CC(=C2)OC)C=CC=N3)O
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| InChI |
1S/C54H85N9O8/c1-10-12-25-56-46(65)33-45(64)43(28-34(3)4)61-54(70)50(36(7)11-2)63-48(67)30-39-22-20-38(21-23-39)29-47(66)62-49(35(5)6)53(69)60-42(19-13-14-24-55)52(68)58-27-15-17-37(8)59-44-32-41(71-9)31-40-18-16-26-57-51(40)44/h16,18,20-23,26,31-32,34-37,42-43,45,49-50,59,64H,10-15,17,19,24-25,27-30,33,55H2,1-9H3,(H,56,65)(H,58,68)(H,60,69)(H,61,70)(H,62,66)(H,63,67)/t36?,37?,42-,43+,45+,49+,50+/m1/s1
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| InChIKey |
NNZMAMRPQYTDNX-UOPYYHGISA-N
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| PubChem Compound ID | ||||
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