Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B9SJ7Y
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-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]propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Synonyms |
CHEMBL2336582; BDBM50428230
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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 |
C66H94N16O17
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)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)[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/C66H94N16O17/c1-33(2)26-47(77-60(93)49(76-57(90)44(67)31-83)29-40-30-71-45-13-9-8-12-43(40)45)58(91)73-36(6)55(88)79-50(28-39-18-22-42(86)23-19-39)64(97)82-25-11-15-52(82)62(95)74-35(5)54(87)72-37(7)56(89)81-53(34(3)4)63(96)80-51(32-84)61(94)78-48(27-38-16-20-41(85)21-17-38)59(92)75-46(65(98)99)14-10-24-70-66(68)69/h8-9,12-13,16-23,30,33-37,44,46-53,71,83-86H,10-11,14-15,24-29,31-32,67H2,1-7H3,(H,72,87)(H,73,91)(H,74,95)(H,75,92)(H,76,90)(H,77,93)(H,78,94)(H,79,88)(H,80,96)(H,81,89)(H,98,99)(H4,68,69,70)/t35-,36-,37-,44-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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| InChIKey |
UQTUHGNRLFQIGS-UIIRHQJHSA-N
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| PubChem Compound ID | ||||
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