Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B5XVM4
|
|||
| Binder Name |
Chembl4280273
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C159H253N43O41
|
|||
| 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](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CN=CN5)N
|
|||
| InChI |
1S/C159H253N43O41/c1-20-86(14)133(155(240)181-98(60-81(4)5)70-127(213)186-120(157(242)243)73-124(167)210)201-137(222)89(17)177-145(230)116(71-122(165)208)185-126(212)69-97(59-80(2)3)180-147(232)112(65-94-44-48-100(205)49-45-94)194-142(227)105(41-29-32-56-162)187-140(225)103(40-28-31-55-161)182-128(214)74-108(84(10)11)189-135(220)87(15)176-144(229)110(61-82(6)7)192-143(228)107(52-53-121(164)207)184-125(211)68-96(39-27-30-54-160)179-139(224)106(43-34-58-174-159(170)171)188-148(233)111(62-83(8)9)193-141(226)104(42-33-57-173-158(168)169)183-129(215)75-109(90(18)203)190-149(234)114(66-95-46-50-101(206)51-47-95)195-151(236)117(72-123(166)209)196-152(237)119(77-131(218)219)199-156(241)134(91(19)204)202-153(238)115(64-93-37-25-22-26-38-93)198-154(239)132(85(12)13)200-136(221)88(16)178-146(231)118(76-130(216)217)197-150(235)113(63-92-35-23-21-24-36-92)191-138(223)102(163)67-99-78-172-79-175-99/h21-26,35-38,44-51,78-91,96-98,102-120,132-134,203-206H,20,27-34,39-43,52-77,160-163H2,1-19H3,(H2,164,207)(H2,165,208)(H2,166,209)(H2,167,210)(H,172,175)(H,176,229)(H,177,230)(H,178,231)(H,179,224)(H,180,232)(H,181,240)(H,182,214)(H,183,215)(H,184,211)(H,185,212)(H,186,213)(H,187,225)(H,188,233)(H,189,220)(H,190,234)(H,191,223)(H,192,228)(H,193,226)(H,194,227)(H,195,236)(H,196,237)(H,197,235)(H,198,239)(H,199,241)(H,200,221)(H,201,222)(H,202,238)(H,216,217)(H,218,219)(H,242,243)(H4,168,169,173)(H4,170,171,174)/t86-,87-,88-,89-,90?,91+,96?,97?,98?,102-,103-,104-,105-,106-,107-,108?,109?,110-,111-,112-,113+,114-,115-,116-,117-,118-,119-,120-,132-,133-,134-/m0/s1
|
|||
| InChIKey |
GIPPDLNSVWNBFD-DABQQGSNSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.