Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B3R1MY
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| Binder Name |
Chembl267608
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| Synonyms |
CHEMBL2370091; BDBM50108525; NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Thr-Asp-Ala-Glu-Phe-Arg
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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 |
C88H142N24O35
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)N
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| InChI |
1S/C88H142N24O35/c1-11-39(5)66(110-78(137)53(34-57(90)117)104-81(140)64(92)42(8)114)83(142)100-46(21-16-17-31-89)73(132)111-68(43(9)115)85(144)101-48(24-28-60(121)122)71(130)98-50(26-30-62(125)126)75(134)109-67(40(6)12-2)84(143)107-56(37-113)80(139)99-49(25-29-61(123)124)74(133)108-65(38(3)4)82(141)105-54(35-58(91)118)79(138)112-69(44(10)116)86(145)106-55(36-63(127)128)76(135)96-41(7)70(129)97-47(23-27-59(119)120)72(131)103-52(33-45-19-14-13-15-20-45)77(136)102-51(87(146)147)22-18-32-95-88(93)94/h13-15,19-20,38-44,46-56,64-69,113-116H,11-12,16-18,21-37,89,92H2,1-10H3,(H2,90,117)(H2,91,118)(H,96,135)(H,97,129)(H,98,130)(H,99,139)(H,100,142)(H,101,144)(H,102,136)(H,103,131)(H,104,140)(H,105,141)(H,106,145)(H,107,143)(H,108,133)(H,109,134)(H,110,137)(H,111,132)(H,112,138)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,146,147)(H4,93,94,95)/t39-,40-,41-,42+,43+,44+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,64-,65-,66-,67-,68-,69-/m0/s1
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| InChIKey |
ZHDRSJWNMCFHCE-ZMTFREBJSA-N
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| PubChem Compound ID | ||||
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