Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BQ69ZR
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| Binder Name |
(2S)-2-[[(12S,15S)-12-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-Acetamido-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3,6,13-trioxo-2,7,14-triazabicyclo[15.2.2]henicosa-1(19),17,20-triene-15-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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| Synonyms |
CHEMBL1791366; BDBM50370741
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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 |
C48H62N8O12S
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H]2CCCCNC(=O)CCC(=O)NC3=CC=C(C[C@H](NC2=O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C=C3)NC(=O)[C@H](CS)NC(=O)C
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| InChI |
1S/C48H62N8O12S/c1-4-27(2)42(56-46(65)39(26-69)50-28(3)57)47(66)54-37(24-30-10-16-33(58)17-11-30)44(63)52-35-7-5-6-22-49-40(60)20-21-41(61)51-32-14-8-29(9-15-32)23-36(53-43(35)62)45(64)55-38(48(67)68)25-31-12-18-34(59)19-13-31/h8-19,27,35-39,42,58-59,69H,4-7,20-26H2,1-3H3,(H,49,60)(H,50,57)(H,51,61)(H,52,63)(H,53,62)(H,54,66)(H,55,64)(H,56,65)(H,67,68)/t27-,35-,36-,37-,38-,39-,42-/m0/s1
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| InChIKey |
PUXIIDINTKMADS-ONJIFFAKSA-N
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| PubChem Compound ID | ||||
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