Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BBYA79
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| Binder Name |
(2S)-2-[[(3S,9S,12S,15S,18S,21R,26R,29S,32S)-21-[[(2S)-2-[(2-Aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-15-(4-aminobutyl)-9-(carboxymethyl)-29-[3-(diaminomethylideneamino)propyl]-18-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-2,8,11,14,17,20,28,31-octaoxo-23,24-dithia-1,7,10,13,16,19,27,30-octazatricyclo[30.3.0.03,7]pentatriacontane-26-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
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| Synonyms |
CHEMBL3623789; BDBM50125047
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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 |
C53H87N21O17S2
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| Canonical SMILES |
C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(=O)N[C@@H](CC4=CN=CN4)C(=O)O)CCCN=C(N)N)CC(=O)O)CO)CCCCN)O
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| InChI |
1S/C53H87N21O17S2/c1-26(76)40-48(87)66-29(8-2-3-13-54)42(81)69-33(22-75)44(83)67-31(19-39(78)79)49(88)74-17-7-12-37(74)50(89)73-16-6-11-36(73)47(86)65-30(10-5-15-62-53(58)59)43(82)70-34(45(84)68-32(51(90)91)18-27-21-60-25-63-27)23-92-93-24-35(46(85)72-40)71-41(80)28(64-38(77)20-55)9-4-14-61-52(56)57/h21,25-26,28-37,40,75-76H,2-20,22-24,54-55H2,1H3,(H,60,63)(H,64,77)(H,65,86)(H,66,87)(H,67,83)(H,68,84)(H,69,81)(H,70,82)(H,71,80)(H,72,85)(H,78,79)(H,90,91)(H4,56,57,61)(H4,58,59,62)/t26-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,40+/m1/s1
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| InChIKey |
JXQAMKZXLWPLIJ-SCTSYRJESA-N
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| PubChem Compound ID | ||||
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