Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BGC12J
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| Binder Name |
3-[(3R,6R,9R,12S,15R,18R,21R,24R,27S,30S)-6,9,15,18,21,24-Hexakis[3-(diaminomethylideneamino)propyl]-3-[(1R)-1-hydroxyethyl]-27-(naphthalen-2-ylmethyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.4.0]tetratriacontan-12-yl]propanamide
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| Synonyms |
CHEMBL1089954; BDBM50481986
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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 |
C64H107N29O12
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| Canonical SMILES |
C[C@H]([C@@H]1C(=O)N2CCCC[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)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)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3)O
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| InChI |
1S/C64H107N29O12/c1-34(94)48-58(105)93-31-5-4-20-46(93)57(104)91-45(33-35-21-22-36-12-2-3-13-37(36)32-35)56(103)89-42(18-10-29-82-63(74)75)52(99)85-39(15-7-26-79-60(68)69)49(96)84-38(14-6-25-78-59(66)67)50(97)86-41(17-9-28-81-62(72)73)53(100)90-44(23-24-47(65)95)54(101)87-40(16-8-27-80-61(70)71)51(98)88-43(55(102)92-48)19-11-30-83-64(76)77/h2-3,12-13,21-22,32,34,38-46,48,94H,4-11,14-20,23-31,33H2,1H3,(H2,65,95)(H,84,96)(H,85,99)(H,86,97)(H,87,101)(H,88,98)(H,89,103)(H,90,100)(H,91,104)(H,92,102)(H4,66,67,78)(H4,68,69,79)(H4,70,71,80)(H4,72,73,81)(H4,74,75,82)(H4,76,77,83)/t34-,38-,39-,40-,41-,42-,43-,44+,45+,46+,48-/m1/s1
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| InChIKey |
ONRMBCUUPKJRTQ-WJKPVAPFSA-N
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| PubChem Compound ID | ||||
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