Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1S6EM
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| Binder Name |
(4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL405695; YVPTNVGSEAf; BDBM50062192
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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 |
C54H78N12O18
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)O
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| InChI |
1S/C54H78N12O18/c1-26(2)42(51(80)57-24-40(71)59-37(25-67)49(78)60-34(18-19-41(72)73)47(76)58-28(5)45(74)62-36(54(83)84)22-30-11-8-7-9-12-30)63-48(77)35(23-39(56)70)61-52(81)44(29(6)68)65-50(79)38-13-10-20-66(38)53(82)43(27(3)4)64-46(75)33(55)21-31-14-16-32(69)17-15-31/h7-9,11-12,14-17,26-29,33-38,42-44,67-69H,10,13,18-25,55H2,1-6H3,(H2,56,70)(H,57,80)(H,58,76)(H,59,71)(H,60,78)(H,61,81)(H,62,74)(H,63,77)(H,64,75)(H,65,79)(H,72,73)(H,83,84)/t28-,29-,33+,34+,35+,36+,37+,38+,42+,43+,44+/m1/s1
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| InChIKey |
IAOMGILQPSPQLL-ZASSWJQSSA-N
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| PubChem Compound ID | ||||
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