Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BK2UB0
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| Binder Name |
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[(2-Aminoacetyl)amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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| Synonyms |
CHEMBL2332605; BDBM50431216
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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 |
C57H89N17O15S3
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CS)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CN)O
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| InChI |
1S/C57H89N17O15S3/c1-27(2)20-36(48(80)72-44(31(6)75)53(85)65-30(5)47(79)70-39(25-91)50(82)69-37(56(88)89)21-32-23-62-34-13-8-7-12-33(32)34)68-51(83)41-15-11-19-74(41)55(87)40(26-92)71-52(84)42-16-10-18-73(42)54(86)35(14-9-17-61-57(59)60)67-46(78)29(4)63-45(77)28(3)64-49(81)38(24-90)66-43(76)22-58/h7-8,12-13,23,27-31,35-42,44,62,75,90-92H,9-11,14-22,24-26,58H2,1-6H3,(H,63,77)(H,64,81)(H,65,85)(H,66,76)(H,67,78)(H,68,83)(H,69,82)(H,70,79)(H,71,84)(H,72,80)(H,88,89)(H4,59,60,61)/t28-,29-,30-,31+,35-,36-,37-,38-,39-,40-,41-,42-,44-/m0/s1
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| InChIKey |
VQIXEONPCVIPEX-YMCSAOMISA-N
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| PubChem Compound ID | ||||
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