Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B14VEK
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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]-3,6,9,15,20-pentaoxo-1,4,7,10,14-pentazacycloicos-10-yl]acetyl]amino]-4-methylpentanamide
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| Synonyms |
CHEMBL302349; BDBM50030211
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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 |
C46H69N11O8S
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CN1CCCNC(=O)CCCCC(=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/C46H69N11O8S/c1-30(2)26-35(43(63)54-33(41(47)61)21-25-66-3)53-40(60)29-57-24-13-23-50-38(58)19-10-11-20-39(59)52-34(18-12-22-51-46(48)49)42(62)55-36(27-31-14-6-4-7-15-31)44(64)56-37(45(57)65)28-32-16-8-5-9-17-32/h4-9,14-17,30,33-37H,10-13,18-29H2,1-3H3,(H2,47,61)(H,50,58)(H,52,59)(H,53,60)(H,54,63)(H,55,62)(H,56,64)(H4,48,49,51)/t33-,34+,35-,36-,37+/m0/s1
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| InChIKey |
MHGTZHZAQAFNNE-DUQWPARQSA-N
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| PubChem Compound ID | ||||
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