Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B2VKT8
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| Binder Name |
(4S,7R,10S,13R,16R,19S)-16-(2-Amino-2-oxoethyl)-13-(3-amino-3-oxopropyl)-19-((R)-1-((R)-2-(2-aminoacetamido)-4-methylpentanoyl)pyrrolidine-2-carboxamido)-10-sec-butyl-7-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxylic acid
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| Synonyms |
CHEMBL1630534; BDBM50332729
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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 |
C43H65N11O13S2
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| Canonical SMILES |
CC[C@@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CCC(=O)N)CC(=O)N)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)CN)C(=O)O)CC3=CC=C(C=C3)O
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| InChI |
1S/C43H65N11O13S2/c1-5-22(4)35-41(64)50-26(16-23-8-10-24(55)11-9-23)37(60)52-30(43(66)67)20-69-68-19-29(39(62)49-27(17-33(46)57)38(61)48-25(36(59)53-35)12-13-32(45)56)51-40(63)31-7-6-14-54(31)42(65)28(15-21(2)3)47-34(58)18-44/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,58)(H,48,61)(H,49,62)(H,50,64)(H,51,63)(H,52,60)(H,53,59)(H,66,67)/t22-,25-,26-,27-,28-,29-,30-,31-,35+/m1/s1
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| InChIKey |
XTBKTMLALBDASM-DNWBJGQSSA-N
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| PubChem Compound ID | ||||
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