Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BMO2G7
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| Binder Name |
5-[(Z)-[(3S,5S)-5-[[(2S)-1-[[(2S)-1-Amino-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]carbamoyl]-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]pyrrolidin-3-yl]oxyiminomethyl]-2-hydroxybenzoic acid
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| Synonyms |
CHEMBL267620; BDBM50230459
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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 |
C77H91N13O26S
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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)O)C(=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/C77H91N13O26S/c1-38(71(108)89-28-6-4-9-55(89)73(110)90-37-44(116-80-36-40-13-23-57(94)46(31-40)74(111)112)35-56(90)69(106)84-51(21-25-62(98)99)66(103)83-50(65(78)102)20-24-61(96)97)81-70(107)64(39(2)91)86-68(105)54-11-8-30-88(54)72(109)52(22-26-63(100)101)85-67(104)53-10-7-29-87(53)60(95)12-3-5-27-79-76(117)82-41-14-17-45-49(32-41)77(115-75(45)113)47-18-15-42(92)33-58(47)114-59-34-43(93)16-19-48(59)77/h13-19,23,31-34,36,38-39,44,50-56,64,91-94H,3-12,20-22,24-30,35,37H2,1-2H3,(H2,78,102)(H,81,107)(H,83,103)(H,84,106)(H,85,104)(H,86,105)(H,96,97)(H,98,99)(H,100,101)(H,111,112)(H2,79,82,117)/b80-36-/t38-,39+,44-,50-,51-,52-,53-,54-,55?,56-,64-/m0/s1
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| InChIKey |
LZLYQKCABTTYHA-GWORHGMCSA-N
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| PubChem Compound ID | ||||
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