Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B5J0PD
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| Binder Name |
3-[(3S,6S,12S,38S,41S,44S)-6-(Carboxymethyl)-12-[3-(diaminomethylideneamino)propyl]-38-[(1R)-1-hydroxyethyl]-3-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,37,40,43-pentadecaoxo-1,4,7,10,13,16,19,22,25,28,31,34,36,39,42-pentadecazabicyclo[42.3.0]heptatetracontan-41-yl]propanoic acid
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| Synonyms |
CHEMBL4079738
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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 |
C47H74N18O20
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| Canonical SMILES |
C[C@H]([C@H]1C(=O)NC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)CCC(=O)O)CC(C)C)CC(=O)O)CCCN=C(N)N)O
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| InChI |
1S/C47H74N18O20/c1-22(2)12-27-45(84)65-11-5-7-28(65)43(82)61-25(8-9-37(75)76)41(80)63-39(23(3)66)44(83)64-47(85)58-19-34(72)55-17-32(70)53-15-30(68)51-14-29(67)52-16-31(69)54-18-33(71)56-20-35(73)59-24(6-4-10-50-46(48)49)40(79)57-21-36(74)60-26(13-38(77)78)42(81)62-27/h22-28,39,66H,4-21H2,1-3H3,(H,51,68)(H,52,67)(H,53,70)(H,54,69)(H,55,72)(H,56,71)(H,57,79)(H,59,73)(H,60,74)(H,61,82)(H,62,81)(H,63,80)(H,75,76)(H,77,78)(H4,48,49,50)(H2,58,64,83,85)/t23-,24+,25+,26+,27+,28+,39+/m1/s1
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| InChIKey |
KOXJJORRJNERRP-XCZOQMBCSA-N
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| PubChem Compound ID | ||||
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