Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B06CEO
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| Binder Name |
(2S)-5-Amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL2332616; BDBM50431219
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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 |
C61H96N18O15S3
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CS)NC(=O)CN
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| InChI |
1S/C61H96N18O15S3/c1-30(2)22-39(51(84)68-33(6)50(83)73-40(23-31(3)4)53(86)76-43(28-96)55(88)72-38(60(93)94)17-18-47(63)80)75-56(89)45-15-11-21-79(45)59(92)44(29-97)77-57(90)46-16-10-20-78(46)58(91)37(14-9-19-66-61(64)65)71-49(82)32(5)69-52(85)41(74-54(87)42(27-95)70-48(81)25-62)24-34-26-67-36-13-8-7-12-35(34)36/h7-8,12-13,26,30-33,37-46,67,95-97H,9-11,14-25,27-29,62H2,1-6H3,(H2,63,80)(H,68,84)(H,69,85)(H,70,81)(H,71,82)(H,72,88)(H,73,83)(H,74,87)(H,75,89)(H,76,86)(H,77,90)(H,93,94)(H4,64,65,66)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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| InChIKey |
ZLONQBFTCKHPBT-VYBOCCTBSA-N
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| PubChem Compound ID | ||||
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