Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BWR5P7
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| Binder Name |
(3S)-3-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
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| Synonyms |
CHEMBL4090834; BDBM50257260
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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 |
C57H85N15O17
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CO)NC(=O)C
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| InChI |
1S/C57H85N15O17/c1-9-27(4)44(70-51(84)39(66-53(86)41(25-73)64-31(8)76)22-33-24-62-36-14-11-10-13-35(33)36)55(88)68-40(23-42(78)79)52(85)69-43(26(2)3)54(87)67-38(21-32-16-18-34(77)19-17-32)50(83)72-46(30(7)75)56(89)65-37(15-12-20-61-57(59)60)49(82)63-28(5)48(81)71-45(29(6)74)47(58)80/h10-11,13-14,16-19,24,26-30,37-41,43-46,62,73-75,77H,9,12,15,20-23,25H2,1-8H3,(H2,58,80)(H,63,82)(H,64,76)(H,65,89)(H,66,86)(H,67,87)(H,68,88)(H,69,85)(H,70,84)(H,71,81)(H,72,83)(H,78,79)(H4,59,60,61)/t27-,28-,29+,30+,37-,38-,39-,40-,41-,43-,44-,45-,46-/m0/s1
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| InChIKey |
VJBBLEYGOGQOSH-SFMGOIRZSA-N
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| PubChem Compound ID | ||||
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