Binder Information
Binder General Information | Top | |||
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Binder ID |
B4UD2E
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Binder Name |
CID 137639140
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Synonyms |
CHEMBL4072638; BDBM50263393
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C165H268N52O51S6
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Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)CNC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)O)N)O
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InChI |
1S/C165H268N52O51S6/c1-80(2)56-99(142(246)191-94(41-44-120(172)224)134(238)184-69-127(231)213-130(83(7)221)160(264)211-115(77-273)153(257)195-98(32-16-21-51-170)163(267)216-54-24-35-118(216)158(262)203-107(65-129(234)235)147(251)194-97(31-15-20-50-169)162(266)215-53-23-34-117(215)157(261)202-105(63-123(175)227)146(250)209-114(76-272)156(260)210-111(73-269)152(256)187-90(132(177)236)28-12-17-47-166)196-136(240)92(30-14-19-49-168)193-161(265)131(84(8)222)214-148(252)106(64-124(176)228)201-149(253)110(72-220)206-159(263)119-36-25-55-217(119)164(268)116(78-274)212-151(255)109(71-219)205-150(254)108(70-218)204-137(241)93(33-22-52-181-165(178)179)190-141(245)100(57-81(3)4)197-155(259)113(75-271)208-144(248)102(59-85-26-10-9-11-27-85)186-126(230)68-182-125(229)67-183-135(239)104(61-87-66-180-79-185-87)200-140(244)96(43-46-122(174)226)192-143(247)101(58-82(5)6)198-154(258)112(74-270)207-138(242)91(29-13-18-48-167)189-145(249)103(60-86-37-39-88(223)40-38-86)199-139(243)95(42-45-121(173)225)188-133(237)89(171)62-128(232)233/h9-11,26-27,37-40,66,79-84,89-119,130-131,218-223,269-274H,12-25,28-36,41-65,67-78,166-171H2,1-8H3,(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,236)(H,180,185)(H,182,229)(H,183,239)(H,184,238)(H,186,230)(H,187,256)(H,188,237)(H,189,249)(H,190,245)(H,191,246)(H,192,247)(H,193,265)(H,194,251)(H,195,257)(H,196,240)(H,197,259)(H,198,258)(H,199,243)(H,200,244)(H,201,253)(H,202,261)(H,203,262)(H,204,241)(H,205,254)(H,206,263)(H,207,242)(H,208,248)(H,209,250)(H,210,260)(H,211,264)(H,212,255)(H,213,231)(H,214,252)(H,232,233)(H,234,235)(H4,178,179,181)/t83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,130+,131+/m1/s1
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InChIKey |
UVSHDNWWLSZUKJ-XDJLRNHBSA-N
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PubChem Compound ID |
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