Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BK29QM
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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]-3,6,9,15,18-pentaoxo-1,4,7,10,14-pentazacyclooctadec-10-yl]acetyl]amino]-4-methylpentanamide
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| Synonyms |
CHEMBL421485; BDBM50030212
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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 |
C44H65N11O8S
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CN1CCCNC(=O)CCC(=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/C44H65N11O8S/c1-28(2)24-33(41(61)52-31(39(45)59)19-23-64-3)51-38(58)27-55-22-11-21-48-36(56)17-18-37(57)50-32(16-10-20-49-44(46)47)40(60)53-34(25-29-12-6-4-7-13-29)42(62)54-35(43(55)63)26-30-14-8-5-9-15-30/h4-9,12-15,28,31-35H,10-11,16-27H2,1-3H3,(H2,45,59)(H,48,56)(H,50,57)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,49)/t31-,32+,33-,34-,35+/m0/s1
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| InChIKey |
ZFMPRZDNGINSND-FVXJUOQQSA-N
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| PubChem Compound ID | ||||
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