Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BUMX69
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| Binder Name |
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-Acetylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL4083044; BDBM50257259
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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 |
C62H84N16O16
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| Canonical SMILES |
CC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCCN5C(=O)C
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| InChI |
1S/C62H84N16O16/c1-33(2)52(77-57(90)43(22-24-51(84)85)71-56(89)42(21-23-49(63)82)72-58(91)45(28-35-11-5-4-6-12-35)74-60(93)48-16-10-26-78(48)34(3)80)61(94)75-46(29-37-30-68-40-14-8-7-13-39(37)40)54(87)69-31-50(83)70-41(15-9-25-67-62(65)66)55(88)76-47(32-79)59(92)73-44(53(64)86)27-36-17-19-38(81)20-18-36/h4-8,11-14,17-20,30,33,41-48,52,68,79,81H,9-10,15-16,21-29,31-32H2,1-3H3,(H2,63,82)(H2,64,86)(H,69,87)(H,70,83)(H,71,89)(H,72,91)(H,73,92)(H,74,93)(H,75,94)(H,76,88)(H,77,90)(H,84,85)(H4,65,66,67)/t41-,42-,43-,44-,45-,46-,47-,48-,52-/m0/s1
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| InChIKey |
BSDIATMBYIZRTJ-ZXGOAQLRSA-N
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| PubChem Compound ID | ||||
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