Binder Information
Binder General Information | Top | |||
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Binder ID |
B7J4SE
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Binder Name |
Chembl4175252
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Synonyms |
BDBM50338571
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C57H96N12O13
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Canonical SMILES |
C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C)O
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InChI |
1S/C57H96N12O13/c1-29(2)25-40(61-36(13)71)51(76)60-34(11)49(74)63-41(26-30(3)4)52(77)62-39(17-14-15-23-58)50(75)65-43(28-37-19-21-38(72)22-20-37)53(78)64-42(27-31(5)6)54(79)67-46(33(9)10)56(81)68-47(35(12)70)57(82)69-24-16-18-44(69)55(80)66-45(32(7)8)48(59)73/h19-22,29-35,39-47,70,72H,14-18,23-28,58H2,1-13H3,(H2,59,73)(H,60,76)(H,61,71)(H,62,77)(H,63,74)(H,64,78)(H,65,75)(H,66,80)(H,67,79)(H,68,81)/t34-,35+,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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InChIKey |
AUAONPWHAGVHDU-IDKRDLHQSA-N
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PubChem Compound ID |
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