Binder Information
Binder General Information | Top | |||
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Binder ID |
BF67OY
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Binder Name |
Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Bth-Thr(PO3H2)-Pro-ChaGln-NH2
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Synonyms |
CHEMBL440637; BDBM50184833
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C57H86N13O16PS2
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Canonical SMILES |
C[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](CC3=CSC4=CC=CC=C43)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6)NC(=O)C)OP(=O)(O)O
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InChI |
1S/C57H86N13O16PS2/c1-30(62-52(77)38(63-33(4)71)17-12-24-60-46(73)21-11-10-20-44-48-41(29-89-44)67-57(82)69-48)50(75)61-31(2)51(76)65-40(27-35-28-88-43-19-9-8-16-36(35)43)54(79)68-47(32(3)86-87(83,84)85)56(81)70-25-13-18-42(70)55(80)66-39(26-34-14-6-5-7-15-34)53(78)64-37(49(59)74)22-23-45(58)72/h8-9,16,19,28,30-32,34,37-42,44,47-48H,5-7,10-15,17-18,20-27,29H2,1-4H3,(H2,58,72)(H2,59,74)(H,60,73)(H,61,75)(H,62,77)(H,63,71)(H,64,78)(H,65,76)(H,66,80)(H,68,79)(H2,67,69,82)(H2,83,84,85)/t30-,31-,32-,37-,38-,39-,40-,41-,42-,44-,47-,48-/m0/s1
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InChIKey |
WLUZOJOVKWULKI-RHOKYPOASA-N
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PubChem Compound ID |
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