Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B7GEA9
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| Binder Name |
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-6-(pent-4-ynoylamino)hexanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL2386883; BDBM50491640
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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 |
C59H82N16O13
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| Canonical SMILES |
CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(=O)C
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| InChI |
1S/C59H82N16O13/c1-4-6-19-42(70-58(88)48(33-76)75-52(82)41(68-35(3)77)21-13-14-26-64-49(78)23-7-5-2)53(83)71-44(24-25-50(79)80)55(85)74-47(30-38-32-63-34-67-38)57(87)73-46(28-36-16-9-8-10-17-36)56(86)69-43(22-15-27-65-59(61)62)54(84)72-45(51(60)81)29-37-31-66-40-20-12-11-18-39(37)40/h2,8-12,16-18,20,31-32,34,41-48,66,76H,4,6-7,13-15,19,21-30,33H2,1,3H3,(H2,60,81)(H,63,67)(H,64,78)(H,68,77)(H,69,86)(H,70,88)(H,71,83)(H,72,84)(H,73,87)(H,74,85)(H,75,82)(H,79,80)(H4,61,62,65)/t41-,42-,43-,44-,45-,46+,47-,48-/m0/s1
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| InChIKey |
UTUFBJSVIBBMCH-ZHCPCWLMSA-N
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| PubChem Compound ID | ||||
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