Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B63HAU
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| Binder Name |
(4S)-5-Amino-4-[[(2S)-4-carboxy-2-[[(2S,4S)-1-[1-[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-1-[5-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]pentanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]propanoyl]piperidine-2-carbonyl]-4-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxypyrrolidine-2-carbonyl]amino]butanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL411342; BDBM50230488
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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 |
C76H86F5N13O23S
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N2C[C@H](C[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N)O/N=C\\C3=C(C(=C(C(=C3F)F)F)F)F)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)CCCCNC(=S)NC6=CC7=C(C=C6)C(=O)OC78C9=C(C=C(C=C9)O)OC1=C8C=CC(=C1)O)O
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| InChI |
1S/C76H86F5N13O23S/c1-35(71(111)93-26-6-4-9-51(93)73(113)94-34-40(117-84-33-42-59(77)61(79)63(81)62(80)60(42)78)32-52(94)69(109)88-47(20-23-57(101)102)66(106)87-46(65(82)105)19-22-56(99)100)85-70(110)64(36(2)95)90-68(108)50-11-8-28-92(50)72(112)48(21-24-58(103)104)89-67(107)49-10-7-27-91(49)55(98)12-3-5-25-83-75(118)86-37-13-16-41-45(29-37)76(116-74(41)114)43-17-14-38(96)30-53(43)115-54-31-39(97)15-18-44(54)76/h13-18,29-31,33,35-36,40,46-52,64,95-97H,3-12,19-28,32,34H2,1-2H3,(H2,82,105)(H,85,110)(H,87,106)(H,88,109)(H,89,107)(H,90,108)(H,99,100)(H,101,102)(H,103,104)(H2,83,86,118)/b84-33-/t35-,36+,40-,46-,47-,48-,49-,50-,51?,52-,64-/m0/s1
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| InChIKey |
UGVMXXDZSBQNDB-KFGKAOPFSA-N
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| PubChem Compound ID | ||||
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