Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B3HMA0
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| Binder Name |
(1R,3R,4S,8R,9S,12Z,21R,22R,24R,26S,30R,31S,34Z,43R,44R,48R)-50,55-Bis(9H-pyrido[3,4-b]indol-1-yl)-2,25-dioxa-7,18,29,40-tetrazaundecacyclo[24.19.3.23,24.29,21.231,43.118,22.140,44.01,29.07,24.08,22.030,44]hexapentaconta-12,34,50,55-tetraene-4,9,31,48-tetrol
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| Synonyms |
CHEMBL3299035; BDBM50270506
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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 |
C72H88N8O6
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| Canonical SMILES |
C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\\C1)([C@H]4[C@]3(C2)C[C@@]56N4CC[C@@H]([C@@H](CC5)O)O[C@@]78CC[C@@H](O6)[C@H](CCN7[C@H]9[C@@]1(CC/C=C\\CCCCN2CC[C@H]([C@]9(C8)C2)C(=C1)C1=NC=CC2=C1NC1=CC=CC=C21)O)O)O)C1=NC=CC2=C1NC1=CC=CC=C21
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| InChI |
1S/C72H88N8O6/c81-57-21-31-71-43-67-45-77-35-15-7-4-2-6-14-30-70(84,42-52(53(67)25-37-77)62-64-50(24-34-74-62)48-18-10-12-20-56(48)76-64)66(67)80(71)40-28-60(57)86-72-32-22-59(85-71)58(82)27-39-79(72)65-68(44-72)46-78-36-16-8-3-1-5-13-29-69(65,83)41-51(54(68)26-38-78)61-63-49(23-33-73-61)47-17-9-11-19-55(47)75-63/h1-2,5-6,9-12,17-20,23-24,33-34,41-42,53-54,57-60,65-66,75-76,81-84H,3-4,7-8,13-16,21-22,25-32,35-40,43-46H2/b5-1-,6-2-/t53-,54-,57+,58-,59+,60-,65+,66+,67-,68-,69-,70-,71+,72+/m0/s1
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| InChIKey |
QNWBBGISMLEXSK-FHTKVFLTSA-N
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| PubChem Compound ID | ||||
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