Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B1DE7O
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| Binder Name |
Chembl4295255
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| Binder Type |
Small molecular drug
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| Structure |
 |
Download2D MOL
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| Formula |
C153H249N43O42
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)NC(CC(C)C)CC(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)CC(CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CC(C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CC(CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C(C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CN=CN4)N
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| InChI |
1S/C153H249N43O42/c1-20-81(14)127(149(235)175-92(55-76(4)5)64-121(208)180-113(151(237)238)67-118(161)205)195-131(217)84(17)171-139(225)109(65-116(159)203)179-120(207)63-91(54-75(2)3)174-141(227)106(59-88-39-43-94(200)44-40-88)187-136(222)99(36-26-29-51-156)181-134(220)97(35-25-28-50-155)176-122(209)68-102(79(10)11)183-129(215)82(15)170-138(224)104(56-77(6)7)185-137(223)101(47-48-115(158)202)178-119(206)62-90(34-24-27-49-154)173-133(219)100(38-31-53-168-153(164)165)182-142(228)105(57-78(8)9)186-135(221)98(37-30-52-167-152(162)163)177-123(210)69-103(85(18)198)184-143(229)107(60-89-41-45-95(201)46-42-89)188-144(230)110(66-117(160)204)189-145(231)112(71-125(213)214)192-150(236)128(86(19)199)196-146(232)108(58-87-32-22-21-23-33-87)191-148(234)126(80(12)13)194-130(216)83(16)172-140(226)111(70-124(211)212)190-147(233)114(73-197)193-132(218)96(157)61-93-72-166-74-169-93/h21-23,32-33,39-46,72,74-86,90-92,96-114,126-128,197-201H,20,24-31,34-38,47-71,73,154-157H2,1-19H3,(H2,158,202)(H2,159,203)(H2,160,204)(H2,161,205)(H,166,169)(H,170,224)(H,171,225)(H,172,226)(H,173,219)(H,174,227)(H,175,235)(H,176,209)(H,177,210)(H,178,206)(H,179,207)(H,180,208)(H,181,220)(H,182,228)(H,183,215)(H,184,229)(H,185,223)(H,186,221)(H,187,222)(H,188,230)(H,189,231)(H,190,233)(H,191,234)(H,192,236)(H,193,218)(H,194,216)(H,195,217)(H,196,232)(H,211,212)(H,213,214)(H,237,238)(H4,162,163,167)(H4,164,165,168)/t81-,82-,83-,84-,85?,86+,90?,91?,92?,96-,97-,98-,99-,100-,101-,102?,103?,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,126-,127-,128-/m0/s1
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| InChIKey |
QDDZMHBFJYESQD-JDHAFQEFSA-N
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| PubChem Compound ID | ||||
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