Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B9WX3S
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
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| Synonyms |
CHEMBL2431618; BDBM50440867
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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 |
C51H84N18O10
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N
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| InChI |
1S/C51H84N18O10/c1-28(2)23-37(45(76)64-35(15-10-22-62-51(58)59)43(74)65-36(41(53)72)25-31-16-18-32(71)19-17-31)66-46(77)38(24-29(3)4)67-48(79)40(27-70)69-47(78)39(26-30-11-6-5-7-12-30)68-44(75)34(14-9-21-61-50(56)57)63-42(73)33(52)13-8-20-60-49(54)55/h5-7,11-12,16-19,28-29,33-40,70-71H,8-10,13-15,20-27,52H2,1-4H3,(H2,53,72)(H,63,73)(H,64,76)(H,65,74)(H,66,77)(H,67,79)(H,68,75)(H,69,78)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
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| InChIKey |
MJJUYHFLTIQDSQ-TZPCGENMSA-N
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| PubChem Compound ID | ||||
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