Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B48WUI
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| Binder Name |
(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropyl]amino]acetyl]amino]acetyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]pentanediamide
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| Synonyms |
CHEMBL263588; BDBM50475329
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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 |
C79H131FN28O20
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)NCC(=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)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)F)NC(=O)CNC(=O)CNC[C@H](CC2=CC=CC=C2)N)O
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| InChI |
1S/C79H131FN28O20/c1-41(2)32-55(73(124)97-44(5)68(119)105-57(35-60(85)112)74(125)100-50(65(86)116)26-27-59(84)111)106-71(122)51(18-10-12-28-81)103-70(121)54(21-15-31-93-79(89)90)102-67(118)43(4)98-76(127)58(40-109)107-72(123)52(19-11-13-29-82)104-69(120)53(20-14-30-92-78(87)88)101-66(117)42(3)96-62(114)39-95-77(128)64(45(6)110)108-75(126)56(34-47-22-24-48(80)25-23-47)99-63(115)38-94-61(113)37-91-36-49(83)33-46-16-8-7-9-17-46/h7-9,16-17,22-25,41-45,49-58,64,91,109-110H,10-15,18-21,26-40,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,94,113)(H,95,128)(H,96,114)(H,97,124)(H,98,127)(H,99,115)(H,100,125)(H,101,117)(H,102,118)(H,103,121)(H,104,120)(H,105,119)(H,106,122)(H,107,123)(H,108,126)(H4,87,88,92)(H4,89,90,93)/t42-,43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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| InChIKey |
DUUWHHOFZDVFQX-INAFUKAMSA-N
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| PubChem Compound ID | ||||
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