Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B6GX7H
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| Binder Name |
2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-6-[(2-phenylcyclopropyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetic acid
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| Synonyms |
CHEMBL3402053; BDBM50067551
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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 |
C63H108N22O19
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| Canonical SMILES |
C[C@@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCNC1CC1C2=CC=CC=C2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)N)O
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| InChI |
1S/C63H108N22O19/c1-31(65)51(94)77-41(20-14-26-73-63(69)70)56(99)85-50(35(5)89)61(104)81-39(18-10-12-24-71-43-27-37(43)36-15-7-6-8-16-36)53(96)80-42(21-22-45(66)90)57(100)84-49(34(4)88)60(103)76-32(2)52(95)78-40(19-13-25-72-62(67)68)54(97)79-38(17-9-11-23-64)55(98)82-44(30-86)58(101)83-48(33(3)87)59(102)75-28-46(91)74-29-47(92)93/h6-8,15-16,31-35,37-44,48-50,71,86-89H,9-14,17-30,64-65H2,1-5H3,(H2,66,90)(H,74,91)(H,75,102)(H,76,103)(H,77,94)(H,78,95)(H,79,97)(H,80,96)(H,81,104)(H,82,98)(H,83,101)(H,84,100)(H,85,99)(H,92,93)(H4,67,68,72)(H4,69,70,73)/t31-,32+,33+,34+,35+,37?,38+,39+,40+,41+,42+,43?,44+,48+,49+,50+/m1/s1
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| InChIKey |
NMSAXYZDTJCYSZ-ZRDIPKLOSA-N
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| PubChem Compound ID | ||||
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