Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BJ9T1E
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| Binder Name |
3-[(3S,6S,9S,12R,17R,20S,23S,26S,29S,32S,35S,38S)-12-Amino-17-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-26,32-bis(2-carboxyethyl)-9,35-bis(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-23-(1H-imidazol-5-ylmethyl)-20-(2-methylsulfanylethyl)-2,5,8,11,19,22,25,28,31,34,37-undecaoxo-29-propan-2-yl-14,15-dithia-1,4,7,10,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-6-yl]propanoic acid
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| Synonyms |
CHEMBL4077087; BDBM50257253
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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 |
C60H88N16O23S3
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| Canonical SMILES |
CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=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)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)CO)CC3=CC=C(C=C3)O)CCC(=O)O)CO)N)C(=O)N[C@@H](CO)C(=O)N)CCSC)CC4=CN=CN4)CCC(=O)O
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| InChI |
1S/C60H88N16O23S3/c1-28(2)47-59(98)68-34(11-14-45(83)84)50(89)69-37(20-30-21-63-27-64-30)54(93)67-36(16-18-100-3)52(91)74-42(57(96)71-39(22-77)48(62)87)26-102-101-25-32(61)49(88)72-40(23-78)55(94)65-33(10-13-44(81)82)51(90)70-38(19-29-6-8-31(80)9-7-29)60(99)76-17-4-5-43(76)58(97)73-41(24-79)56(95)66-35(53(92)75-47)12-15-46(85)86/h6-9,21,27-28,32-43,47,77-80H,4-5,10-20,22-26,61H2,1-3H3,(H2,62,87)(H,63,64)(H,65,94)(H,66,95)(H,67,93)(H,68,98)(H,69,89)(H,70,90)(H,71,96)(H,72,88)(H,73,97)(H,74,91)(H,75,92)(H,81,82)(H,83,84)(H,85,86)/t32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
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| InChIKey |
FESFSWLOIGSVMS-YAFYVYTDSA-N
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| PubChem Compound ID | ||||
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