Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B8MJ0H
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| Binder Name |
(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-methyl-3-sulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]-methylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid
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| Synonyms |
CHEMBL444490; BDBM50270824
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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 |
C69H98N18O16S2
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)NCC(=O)N(C)[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](C(C)(C)S)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCN=C(N)N)N)O
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| InChI |
1S/C69H98N18O16S2/c1-38(2)27-46(60(95)82-49(30-42-21-23-44(89)24-22-42)66(101)87-26-14-20-51(87)62(97)83-50(36-104)67(102)103)79-54(91)34-75-53(90)33-76-59(94)47(28-40-15-9-7-10-16-40)81-63(98)52(31-43-32-73-37-78-43)86(6)55(92)35-77-64(99)56(39(3)88)84-65(100)57(69(4,5)105)85-61(96)48(29-41-17-11-8-12-18-41)80-58(93)45(70)19-13-25-74-68(71)72/h7-12,15-18,21-24,32,37-39,45-52,56-57,88-89,104-105H,13-14,19-20,25-31,33-36,70H2,1-6H3,(H,73,78)(H,75,90)(H,76,94)(H,77,99)(H,79,91)(H,80,93)(H,81,98)(H,82,95)(H,83,97)(H,84,100)(H,85,96)(H,102,103)(H4,71,72,74)/t39-,45+,46+,47+,48+,49+,50+,51+,52+,56+,57-/m1/s1
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| InChIKey |
DLKLLAHEYAQCRJ-SJGHIIINSA-N
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| PubChem Compound ID | ||||
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