Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B1PCG2
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| Binder Name |
CID 127046597
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| Synonyms |
CHEMBL3798460; BDBM50163915
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 |
C175H267N53O46S7
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| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4CSSC[C@@H](C(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)C(C)C)CC(C)C)CC(=O)N)CCCNC(=N)N)NC3=O)NC(=O)[C@H](CC(=O)O)N)CC(C)C)CC6=CC=CC=C6)CCSC)CCCNC(=N)N)CCCCN)CO)CCCNC(=N)N)[C@@H](C)O)CC7=CN=CN7)CCC(=O)N)CC8=CNC9=CC=CC=C98)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)CCCCN)CC(=O)O)CC(=O)N)CC(=O)O
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| InChI |
1S/C175H267N53O46S7/c1-13-90(10)138-172(274)228-61-32-46-128(228)167(269)214-119(74-135(240)241)156(258)211-116(71-130(181)233)153(255)212-118(73-134(238)239)155(257)200-103(41-24-27-56-178)146(248)218-124-82-279-277-80-122(160(262)202-101(39-22-25-54-176)144(246)209-113(67-94-47-49-97(231)50-48-94)158(260)224-136(88(6)7)168(270)206-109(140(183)242)65-92-33-16-14-17-34-92)220-151(253)114(68-95-75-194-100-38-21-20-37-98(95)100)210-147(249)106(51-52-129(180)232)203-152(254)115(69-96-76-190-85-196-96)215-170(272)139(91(11)230)226-149(251)105(43-29-58-192-174(186)187)201-159(261)120(78-229)216-163(265)125-83-280-281-84-126(165(267)225-138)219-145(247)102(40-23-26-55-177)198-143(245)104(42-28-57-191-173(184)185)199-148(250)107(53-62-275-12)204-150(252)112(66-93-35-18-15-19-36-93)197-132(235)77-195-142(244)110(63-86(2)3)207-162(264)121(217-141(243)99(179)70-133(236)237)79-276-278-81-123(221-164(124)266)161(263)205-108(44-30-59-193-175(188)189)171(273)227-60-31-45-127(227)166(268)213-117(72-131(182)234)154(256)208-111(64-87(4)5)157(259)223-137(89(8)9)169(271)222-125/h14-21,33-38,47-50,75-76,85-91,99,101-128,136-139,194,229-231H,13,22-32,39-46,51-74,77-84,176-179H2,1-12H3,(H2,180,232)(H2,181,233)(H2,182,234)(H2,183,242)(H,190,196)(H,195,244)(H,197,235)(H,198,245)(H,199,250)(H,200,257)(H,201,261)(H,202,262)(H,203,254)(H,204,252)(H,205,263)(H,206,270)(H,207,264)(H,208,256)(H,209,246)(H,210,249)(H,211,258)(H,212,255)(H,213,268)(H,214,269)(H,215,272)(H,216,265)(H,217,243)(H,218,248)(H,219,247)(H,220,253)(H,221,266)(H,222,271)(H,223,259)(H,224,260)(H,225,267)(H,226,251)(H,236,237)(H,238,239)(H,240,241)(H4,184,185,191)(H4,186,187,192)(H4,188,189,193)/t90-,91+,99-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,136-,137-,138-,139-/m0/s1
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| InChIKey |
WRIRITPBFYZFNI-HTFUMWKFSA-N
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| PubChem Compound ID | ||||
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