Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BF2M0X
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-3-(4-Benzoylphenyl)-2-[[(2S)-3-[4-(diaminomethylideneamino)phenyl]-2-[[(2S)-3-(4-fluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]pentanoic acid
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| Synonyms |
CHEMBL411798
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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 |
C61H64FN15O11
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| Canonical SMILES |
C1=CC=C(C=C1)/C=C/C(=O)N[C@@H](CC2=CC=C(C=C2)F)C(=O)N[C@@H](CC3=CC=C(C=C3)N=C(N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)C(=O)C5=CC=CC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCNC6=CC=C(C7=NON=C67)[N+](=O)[O-])C(=O)O
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| InChI |
1S/C61H64FN15O11/c62-42-24-17-38(18-25-42)33-47(70-51(78)30-21-36-9-3-1-4-10-36)56(81)73-49(35-39-19-26-43(27-20-39)69-61(65)66)58(83)74-48(34-37-15-22-41(23-16-37)54(79)40-11-5-2-6-12-40)57(82)71-45(13-7-32-68-60(63)64)55(80)72-46(59(84)85)14-8-31-67-44-28-29-50(77(86)87)53-52(44)75-88-76-53/h1-6,9-12,15-30,45-49,67H,7-8,13-14,31-35H2,(H,70,78)(H,71,82)(H,72,80)(H,73,81)(H,74,83)(H,84,85)(H4,63,64,68)(H4,65,66,69)/b30-21+/t45-,46-,47-,48-,49-/m0/s1
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| InChIKey |
AMLDCGHYDNTFAE-PEOMNQJNSA-N
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| PubChem Compound ID | ||||
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