Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BJRE53
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| Binder Name |
(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S,3R)-1-[[2-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL4090048
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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 |
C53H86N20O24
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)O
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| InChI |
1S/C53H86N20O24/c1-25(2)12-30(51(95)73-11-5-7-32(73)49(93)70-28(8-9-43(86)87)47(91)72-45(26(3)75)50(94)66-20-39(82)64-22-41(84)69-31(24-74)52(96)97)71-48(92)29(13-44(88)89)68-42(85)23-65-46(90)27(6-4-10-57-53(55)56)67-40(83)21-63-38(81)19-62-37(80)18-61-36(79)17-60-35(78)16-59-34(77)15-58-33(76)14-54/h25-32,45,74-75H,4-24,54H2,1-3H3,(H,58,76)(H,59,77)(H,60,78)(H,61,79)(H,62,80)(H,63,81)(H,64,82)(H,65,90)(H,66,94)(H,67,83)(H,68,85)(H,69,84)(H,70,93)(H,71,92)(H,72,91)(H,86,87)(H,88,89)(H,96,97)(H4,55,56,57)/t26-,27+,28+,29+,30+,31+,32+,45+/m1/s1
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| InChIKey |
YOKQFDSBCXZBKL-OBMHQVCPSA-N
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| PubChem Compound ID | ||||
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