Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BP12SN
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| Binder Name |
2-[(2S,5R,8S,11S)-5-Benzyl-11-[3-(diaminomethylideneamino)propyl]-8-[[4-[[[4-[2-[(E)-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methylideneamino]oxyethylamino]-4-oxobutanoyl]amino]methyl]phenyl]methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
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| Synonyms |
CHEMBL590715; BDBM50308725
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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 |
C58H65N13O14
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| Canonical SMILES |
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N/OCCNC(=O)CCC(=O)NCC6=CC=C(C=C6)C[C@H]7C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N7)CC8=CC=CC=C8)CC(=O)O)CCCN=C(N)N)O
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| InChI |
1S/C58H65N13O14/c1-2-58(83)39-25-45-50-37(30-71(45)55(81)38(39)31-84-56(58)82)36(35-11-6-7-12-40(35)67-50)28-65-85-22-21-61-46(72)18-19-47(73)63-27-34-16-14-33(15-17-34)24-43-52(78)68-41(13-8-20-62-57(59)60)51(77)64-29-48(74)66-44(26-49(75)76)54(80)70-42(53(79)69-43)23-32-9-4-3-5-10-32/h3-7,9-12,14-17,25,28,41-44,83H,2,8,13,18-24,26-27,29-31H2,1H3,(H,61,72)(H,63,73)(H,64,77)(H,66,74)(H,68,78)(H,69,79)(H,70,80)(H,75,76)(H4,59,60,62)/b65-28+/t41-,42+,43-,44-,58-/m0/s1
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| InChIKey |
RUUXOWOHEJZKAR-IAKHXZQESA-N
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| PubChem Compound ID | ||||
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