Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B4HMP1
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| Binder Name |
(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-6-[(2-phenylcyclopropyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
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| Synonyms |
CHEMBL3402054; BDBM50067555
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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 |
C52H90N18O13
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| Canonical SMILES |
C[C@@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCNC1CC1C2=CC=CC=C2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)N)O
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| InChI |
1S/C52H90N18O13/c1-27(54)42(74)64-35(19-13-25-62-52(58)59)46(78)70-41(30(4)72)49(81)67-33(16-9-11-23-60-38-26-32(38)31-14-6-5-7-15-31)44(76)66-36(20-21-39(55)73)47(79)69-40(29(3)71)48(80)63-28(2)43(75)65-34(18-12-24-61-51(56)57)45(77)68-37(50(82)83)17-8-10-22-53/h5-7,14-15,27-30,32-38,40-41,60,71-72H,8-13,16-26,53-54H2,1-4H3,(H2,55,73)(H,63,80)(H,64,74)(H,65,75)(H,66,76)(H,67,81)(H,68,77)(H,69,79)(H,70,78)(H,82,83)(H4,56,57,61)(H4,58,59,62)/t27-,28+,29+,30+,32?,33+,34+,35+,36+,37+,38?,40+,41+/m1/s1
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| InChIKey |
DDQNHMLYRSXZIP-RNEJODLJSA-N
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| PubChem Compound ID | ||||
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