Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BL05RS
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| Binder Name |
(S)-2-[2-((S)-2-{(S)-2-[(S)-2-{(S)-2-[(S)-2-((S)-2-Amino-4-methyl-pentanoylamino)-3-methyl-butyrylamino]-3-phenyl-butyrylamino}-3-(4-phosphonooxy-phenyl)-propionylamino]-3-carbamoyl-propionylamino}-4-methyl-pentanoylamino)-acetylamino]-pentanedioic acid
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| Synonyms |
CHEMBL413215; BDBM50162438
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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 |
C47H70N9O16P
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OP(=O)(O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)N
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| InChI |
1S/C47H70N9O16P/c1-24(2)19-31(48)41(61)55-39(26(5)6)45(65)56-40(27(7)29-11-9-8-10-12-29)46(66)54-34(21-28-13-15-30(16-14-28)72-73(69,70)71)43(63)53-35(22-36(49)57)44(64)52-33(20-25(3)4)42(62)50-23-37(58)51-32(47(67)68)17-18-38(59)60/h8-16,24-27,31-35,39-40H,17-23,48H2,1-7H3,(H2,49,57)(H,50,62)(H,51,58)(H,52,64)(H,53,63)(H,54,66)(H,55,61)(H,56,65)(H,59,60)(H,67,68)(H2,69,70,71)/t27?,31-,32-,33-,34-,35-,39-,40-/m0/s1
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| InChIKey |
NVEDIPBJYJJYQD-PYPGTEFOSA-N
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| PubChem Compound ID | ||||
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