Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B68RFL
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Synonyms |
CHEMBL2336574; BDBM50428220
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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 |
C63H88N16O17
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CO)N
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| InChI |
1S/C63H88N16O17/c1-32(2)24-45(75-58(91)47(74-55(88)42(64)30-80)27-38-28-68-43-11-7-6-10-41(38)43)56(89)72-35(5)53(86)77-48(26-37-16-20-40(83)21-17-37)61(94)79-23-9-13-50(79)60(93)69-29-51(84)70-33(3)52(85)71-34(4)54(87)78-49(31-81)59(92)76-46(25-36-14-18-39(82)19-15-36)57(90)73-44(62(95)96)12-8-22-67-63(65)66/h6-7,10-11,14-21,28,32-35,42,44-50,68,80-83H,8-9,12-13,22-27,29-31,64H2,1-5H3,(H,69,93)(H,70,84)(H,71,85)(H,72,89)(H,73,90)(H,74,88)(H,75,91)(H,76,92)(H,77,86)(H,78,87)(H,95,96)(H4,65,66,67)/t33-,34-,35-,42-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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| InChIKey |
IYVOIMUFHBGJCC-OXHNDVHRSA-N
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| PubChem Compound ID | ||||
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