Binder Information
Binder General Information | Top | |||
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Binder ID |
B1GUP7
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Binder Name |
Mupain-1
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Synonyms |
CHEMBL3734777; BDBM50499239
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C51H73N13O16S2
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Canonical SMILES |
C[C@H]1C(=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)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)N)C(=O)O)CC(=O)O)CC(C)C)CC3=CC=C(C=C3)O)CCCN=C(N)N)CO)CC4=CC=C(C=C4)O
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InChI |
1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
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InChIKey |
RTBBZNOSANWPBI-ZPJKPQIISA-N
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PubChem Compound ID |
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