Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BRY57K
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| Binder Name |
[(1R)-1-[(3R,6R,9R,12S,15S,18S,21S)-12-(3-Amino-3-oxopropyl)-6,9,15-tris[3-(diaminomethylideneamino)propyl]-18-(naphthalen-2-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-3-yl]ethyl] dihydrogen phosphate
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| Synonyms |
CHEMBL1089953; BDBM50481988
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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 |
C45H70N17O12P
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| Canonical SMILES |
C[C@H]([C@@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3)OP(=O)(O)O
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| InChI |
1S/C45H70N17O12P/c1-24(74-75(71,72)73)35-42(70)62-21-7-13-33(62)41(69)60-32(23-25-14-15-26-8-2-3-9-27(26)22-25)40(68)58-29(11-5-19-54-44(49)50)37(65)59-31(16-17-34(46)63)38(66)56-28(10-4-18-53-43(47)48)36(64)57-30(39(67)61-35)12-6-20-55-45(51)52/h2-3,8-9,14-15,22,24,28-33,35H,4-7,10-13,16-21,23H2,1H3,(H2,46,63)(H,56,66)(H,57,64)(H,58,68)(H,59,65)(H,60,69)(H,61,67)(H4,47,48,53)(H4,49,50,54)(H4,51,52,55)(H2,71,72,73)/t24-,28-,29+,30-,31+,32+,33+,35-/m1/s1
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| InChIKey |
IBUUUWPCZWWJSO-BRWKYJEZSA-N
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| PubChem Compound ID | ||||
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