Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BHP90Y
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| Binder Name |
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-amino-5-oxopentanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]pentanediamide
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| Synonyms |
CHEMBL1684365; BDBM50338753
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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 |
C60H100N22O14S
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)C
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| InChI |
1S/C60H100N22O14S/c1-7-32(3)48(50(64)87)80-56(93)43(26-36-28-68-31-72-36)78-52(89)39(17-19-46(63)85)74-47(86)29-70-51(88)38(16-18-45(62)84)76-55(92)42(25-35-27-67-30-71-35)79-57(94)44-15-12-23-82(44)59(96)41(13-9-10-21-61)77-58(95)49(33(4)8-2)81-54(91)37(14-11-22-69-60(65)66)75-53(90)40(20-24-97-6)73-34(5)83/h27-28,30-33,37-44,48-49H,7-26,29,61H2,1-6H3,(H2,62,84)(H2,63,85)(H2,64,87)(H,67,71)(H,68,72)(H,70,88)(H,73,83)(H,74,86)(H,75,90)(H,76,92)(H,77,95)(H,78,89)(H,79,94)(H,80,93)(H,81,91)(H4,65,66,69)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-,48-,49-/m0/s1
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| InChIKey |
MDEBWIXAVYLVGJ-DOPGCKCKSA-N
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| PubChem Compound ID | ||||
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