Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BT9Q8D
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| Binder Name |
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[(2-Aminoacetyl)amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
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| Synonyms |
CHEMBL2332615; BDBM50431223
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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 |
C55H88N16O16S4
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)CN
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| InChI |
1S/C55H88N16O16S4/c1-28(2)20-34(66-48(80)37(25-88)63-42(74)22-56)45(77)60-23-43(75)62-33(8-5-16-59-55(57)58)52(84)70-17-6-10-41(70)51(83)69-39(27-90)53(85)71-18-7-9-40(71)50(82)64-32(15-19-91-4)46(78)61-29(3)44(76)65-35(21-30-11-13-31(73)14-12-30)47(79)68-38(26-89)49(81)67-36(24-72)54(86)87/h11-14,28-29,32-41,72-73,88-90H,5-10,15-27,56H2,1-4H3,(H,60,77)(H,61,78)(H,62,75)(H,63,74)(H,64,82)(H,65,76)(H,66,80)(H,67,81)(H,68,79)(H,69,83)(H,86,87)(H4,57,58,59)/t29-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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| InChIKey |
UKPZKTRZJRZOAR-HWAWXGHQSA-N
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| PubChem Compound ID | ||||
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