Binder Information
Binder General Information | Top | |||
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Binder ID |
BT4R7W
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Binder Name |
Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Nal-Thr(PO3H2)-Pro-tBuGly-Gln-NH2
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Synonyms |
CHEMBL267945; BDBM50184832
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C57H86N13O16PS
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Canonical SMILES |
C[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N)C(C)(C)C)NC(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)NC(=O)C)OP(=O)(O)O
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InChI |
1S/C57H86N13O16PS/c1-30(62-51(77)38(63-33(4)71)17-12-13-25-60-44(73)20-11-10-19-42-46-40(29-88-42)66-56(82)68-46)49(75)61-31(2)50(76)65-39(28-34-21-22-35-15-8-9-16-36(35)27-34)52(78)67-45(32(3)86-87(83,84)85)55(81)70-26-14-18-41(70)53(79)69-47(57(5,6)7)54(80)64-37(48(59)74)23-24-43(58)72/h8-9,15-16,21-22,27,30-32,37-42,45-47H,10-14,17-20,23-26,28-29H2,1-7H3,(H2,58,72)(H2,59,74)(H,60,73)(H,61,75)(H,62,77)(H,63,71)(H,64,80)(H,65,76)(H,67,78)(H,69,79)(H2,66,68,82)(H2,83,84,85)/t30-,31-,32-,37-,38-,39-,40-,41-,42-,45-,46-,47+/m0/s1
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InChIKey |
FPLZMNPIKVRWQD-HLLCLACBSA-N
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PubChem Compound ID |
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