Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BV91CQ
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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)-(4-nitrophenyl)methylideneamino]oxypyrrolidine-2-carbonyl]amino]butanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL403544; BDBM50230489
Click to Show/Hide
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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 |
C76H90N14O25S
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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=CC=C(C=C3)[N+](=O)[O-])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/C76H90N14O25S/c1-39(71(107)88-30-6-4-9-56(88)73(109)89-38-46(115-79-37-41-13-16-43(17-14-41)90(111)112)36-57(89)69(105)83-52(24-27-62(97)98)66(102)82-51(65(77)101)23-26-61(95)96)80-70(106)64(40(2)91)85-68(104)55-11-8-32-87(55)72(108)53(25-28-63(99)100)84-67(103)54-10-7-31-86(54)60(94)12-3-5-29-78-75(116)81-42-15-20-47-50(33-42)76(114-74(47)110)48-21-18-44(92)34-58(48)113-59-35-45(93)19-22-49(59)76/h13-22,33-35,37,39-40,46,51-57,64,91-93H,3-12,23-32,36,38H2,1-2H3,(H2,77,101)(H,80,106)(H,82,102)(H,83,105)(H,84,103)(H,85,104)(H,95,96)(H,97,98)(H,99,100)(H2,78,81,116)/b79-37-/t39-,40+,46-,51-,52-,53-,54-,55-,56?,57-,64-/m0/s1
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| InChIKey |
UGFPLWNIVZUDAI-PGMDGYRJSA-N
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| PubChem Compound ID | ||||
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