Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BN36GW
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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-[(2S)-butan-2-yl]-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 |
CHEMBL3623788; BDBM50125048
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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 |
C55H93N21O15S2
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| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)CCCCN)[C@@H](C)O)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
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| InChI |
1S/C55H93N21O15S2/c1-4-28(2)41-52(89)76-20-10-15-39(76)51(88)75-19-9-14-38(75)49(86)67-33(13-8-18-64-55(60)61)45(82)71-36(47(84)69-34(53(90)91)21-30-23-62-27-65-30)25-92-93-26-37(72-43(80)31(66-40(79)22-57)12-7-17-63-54(58)59)48(85)74-42(29(3)78)50(87)68-32(11-5-6-16-56)44(81)70-35(24-77)46(83)73-41/h23,27-29,31-39,41-42,77-78H,4-22,24-26,56-57H2,1-3H3,(H,62,65)(H,66,79)(H,67,86)(H,68,87)(H,69,84)(H,70,81)(H,71,82)(H,72,80)(H,73,83)(H,74,85)(H,90,91)(H4,58,59,63)(H4,60,61,64)/t28-,29+,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1
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| InChIKey |
MHWPNEADOGSOHV-GWFXKQNSSA-N
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| PubChem Compound ID | ||||
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