Binder Information
Binder General Information | Top | |||
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Binder ID |
B2HCV4
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Binder Name |
Chembl4209558
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Synonyms |
BDBM50454851
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C71H112N26O15S
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Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CO)CCCNC(=N)N)CCCNC(=N)N)[C@@H](C)CC)CCCNC(=N)N)CC3=CC=C(C=C3)O)C(=O)N)CC4=CNC5=CC=CC=C54)CCCNC(=N)N
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InChI |
1S/C71H112N26O15S/c1-5-37(3)55-65(110)90-46(18-11-27-83-70(77)78)60(105)92-48(31-40-32-85-43-15-8-7-14-42(40)43)63(108)94-51(57(72)102)35-113-36-54(101)87-49(30-39-21-23-41(99)24-22-39)67(112)97-29-13-20-52(97)64(109)89-47(19-12-28-84-71(79)80)62(107)96-56(38(4)6-2)66(111)91-45(17-10-26-82-69(75)76)59(104)88-44(16-9-25-81-68(73)74)61(106)93-50(34-98)58(103)86-33-53(100)95-55/h7-8,14-15,21-24,32,37-38,44-52,55-56,85,98-99H,5-6,9-13,16-20,25-31,33-36H2,1-4H3,(H2,72,102)(H,86,103)(H,87,101)(H,88,104)(H,89,109)(H,90,110)(H,91,111)(H,92,105)(H,93,106)(H,94,108)(H,95,100)(H,96,107)(H4,73,74,81)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t37-,38-,44-,45-,46-,47-,48-,49-,50-,51-,52-,55-,56-/m0/s1
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InChIKey |
YFRHLEVQXDGTNW-WWGRLUKMSA-N
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PubChem Compound ID |
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