Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BR6A5E
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| Binder Name |
2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-6-amino-hexanoylamino}-3-carboxy-propionylamino)-4-methylsulfanyl-butyrylamino]-4-carbamoyl-butyrylamino}-4-methyl-pentanoylamino)-acetylamino]-5-guanidino-pentanoic acid
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| Synonyms |
CHEMBL2369501; BDBM50008235
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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 |
C42H71N15O13S
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CN=CN1)NC(=O)C
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| InChI |
1S/C42H71N15O13S/c1-22(2)16-29(35(63)49-20-33(60)52-28(41(69)70)9-7-14-48-42(45)46)56-37(65)26(10-11-32(44)59)54-38(66)27(12-15-71-4)55-40(68)31(18-34(61)62)57-36(64)25(8-5-6-13-43)53-39(67)30(51-23(3)58)17-24-19-47-21-50-24/h19,21-22,25-31H,5-18,20,43H2,1-4H3,(H2,44,59)(H,47,50)(H,49,63)(H,51,58)(H,52,60)(H,53,67)(H,54,66)(H,55,68)(H,56,65)(H,57,64)(H,61,62)(H,69,70)(H4,45,46,48)/t25-,26-,27+,28-,29-,30-,31-/m0/s1
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| InChIKey |
VUBZVUMJZBGTQL-AKMZVBTESA-N
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| PubChem Compound ID | ||||
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