Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B9RG1D
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| Binder Name |
3-[(3R,6S,9S,12S,15S,18S,21S,24S)-6,9,15,18-Tetrakis[3-(diaminomethylideneamino)propyl]-3-[(1R)-1-hydroxyethyl]-21-(naphthalen-2-ylmethyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazabicyclo[22.4.0]octacosan-12-yl]propanamide
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| Synonyms |
CHEMBL1089955; BDBM50481982
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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 |
C52H83N21O10
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| Canonical SMILES |
C[C@H]([C@@H]1C(=O)N2CCCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3)O
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| InChI |
1S/C52H83N21O10/c1-28(74)40-48(83)73-25-5-4-16-38(73)47(82)71-37(27-29-17-18-30-10-2-3-11-31(30)26-29)46(81)69-34(14-8-23-64-51(58)59)42(77)66-33(13-7-22-63-50(56)57)43(78)70-36(19-20-39(53)75)44(79)67-32(12-6-21-62-49(54)55)41(76)68-35(45(80)72-40)15-9-24-65-52(60)61/h2-3,10-11,17-18,26,28,32-38,40,74H,4-9,12-16,19-25,27H2,1H3,(H2,53,75)(H,66,77)(H,67,79)(H,68,76)(H,69,81)(H,70,78)(H,71,82)(H,72,80)(H4,54,55,62)(H4,56,57,63)(H4,58,59,64)(H4,60,61,65)/t28-,32+,33+,34+,35+,36+,37+,38+,40-/m1/s1
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| InChIKey |
SJHUGXPTAUEAJB-DSMIIWLZSA-N
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| PubChem Compound ID | ||||
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