Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BY04UD
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| Binder Name |
CID 137651025
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| Synonyms |
CHEMBL4079142; BDBM50263383
Click to Show/Hide
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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 |
C167H263N49O49S6
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CC(=O)O)N
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| InChI |
1S/C167H263N49O49S6/c1-13-83(7)131(162(261)194-103(48-50-122(173)225)140(239)184-70-128(231)211-133(87(11)220)164(263)209-118(77-269)157(256)199-106(60-90-36-42-94(222)43-37-90)147(246)192-99(34-26-56-180-167(177)178)139(238)183-69-127(230)188-100(31-19-23-53-169)142(241)186-85(9)136(235)191-101(32-20-24-54-170)143(242)205-117(76-268)158(257)208-115(74-266)155(254)190-98(135(176)234)30-18-22-52-168)213-145(244)102(33-21-25-55-171)193-165(264)134(88(12)221)215-152(251)109(59-89-28-16-15-17-29-89)201-163(262)132(84(8)14-2)214-160(259)121-35-27-57-216(121)166(265)120(79-271)210-137(236)86(10)187-153(252)113(72-218)203-149(248)108(62-92-40-46-96(224)47-41-92)197-146(245)105(58-81(3)4)196-156(255)116(75-267)206-144(243)104(49-51-123(174)226)189-126(229)68-181-125(228)67-182-141(240)112(71-217)202-154(253)114(73-219)204-161(260)130(82(5)6)212-159(258)119(78-270)207-151(250)111(65-124(175)227)200-148(247)107(61-91-38-44-95(223)45-39-91)198-150(249)110(63-93-66-179-80-185-93)195-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,217-224,266-271H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,234)(H,179,185)(H,181,228)(H,182,240)(H,183,238)(H,184,239)(H,186,241)(H,187,252)(H,188,230)(H,189,229)(H,190,254)(H,191,235)(H,192,246)(H,193,264)(H,194,261)(H,195,237)(H,196,255)(H,197,245)(H,198,249)(H,199,256)(H,200,247)(H,201,262)(H,202,253)(H,203,248)(H,204,260)(H,205,242)(H,206,243)(H,207,250)(H,208,257)(H,209,263)(H,210,236)(H,211,231)(H,212,258)(H,213,244)(H,214,259)(H,215,251)(H,232,233)(H4,177,178,180)/t83-,84-,85-,86-,87+,88+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,130-,131-,132-,133-,134-/m0/s1
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| InChIKey |
BLXHAQUKQLQYMY-YYSGPKNVSA-N
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| PubChem Compound ID | ||||
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