Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BOTA56
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| Binder Name |
(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(2R,5S,8R)-5,8-dibenzyl-2-[3-(diaminomethylideneamino)propyl]-3,6,9,15,19-pentaoxo-1,4,7,10,14-pentazacyclononadec-10-yl]acetyl]amino]-4-methylpentanamide
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| Synonyms |
CHEMBL303222; BDBM50030213
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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 |
C45H67N11O8S
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CN1CCCNC(=O)CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)CCCN=C(N)N
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| InChI |
1S/C45H67N11O8S/c1-29(2)25-34(42(62)53-32(40(46)60)20-24-65-3)52-39(59)28-56-23-12-22-49-37(57)18-10-19-38(58)51-33(17-11-21-50-45(47)48)41(61)54-35(26-30-13-6-4-7-14-30)43(63)55-36(44(56)64)27-31-15-8-5-9-16-31/h4-9,13-16,29,32-36H,10-12,17-28H2,1-3H3,(H2,46,60)(H,49,57)(H,51,58)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H4,47,48,50)/t32-,33+,34-,35-,36+/m0/s1
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| InChIKey |
NCFCVGUQIMTNNB-WGZBAJHCSA-N
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| PubChem Compound ID | ||||
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