Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BBLR71
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| Binder Name |
2-[(3S,9S,12R,17R,20S,23S,26S)-12-Amino-17-[(2-amino-2-oxoethyl)carbamoyl]-20,23-bis[3-(diaminomethylideneamino)propyl]-3-[(1R)-1-hydroxyethyl]-2,5,8,11,19,22,25-heptaoxo-14,15-dithia-1,4,7,10,18,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid
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| Synonyms |
CHEMBL1950040; BDBM50363995
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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 |
C35H60N16O12S2
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| Canonical SMILES |
C[C@H]([C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CC(=O)O)N)C(=O)NCC(=O)N)CCCN=C(N)N)CCCN=C(N)N)O
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| InChI |
1S/C35H60N16O12S2/c1-16(52)26-33(63)51-10-4-7-22(51)32(62)47-19(6-3-9-43-35(40)41)30(60)46-18(5-2-8-42-34(38)39)31(61)49-21(29(59)44-12-23(37)53)15-65-64-14-17(36)27(57)48-20(11-25(55)56)28(58)45-13-24(54)50-26/h16-22,26,52H,2-15,36H2,1H3,(H2,37,53)(H,44,59)(H,45,58)(H,46,60)(H,47,62)(H,48,57)(H,49,61)(H,50,54)(H,55,56)(H4,38,39,42)(H4,40,41,43)/t16-,17+,18+,19+,20+,21+,22+,26+/m1/s1
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| InChIKey |
WUNXEXOIPMBFDW-MHJVTTCDSA-N
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| PubChem Compound ID | ||||
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