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PM 102 is heparin antagonist that reverses the anticoagulant effect of heparin and potently binds heparin (Kd = 36 nM in vitro).
Peptide Library Construction and Screening
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M.F/Formula | C235H425N111O64 |
M.W/Mr. | 5830 |
Sequence | AEARARRAAARAARRAKK(AEARARRAAARAARRA)PX(AEARARRAAARAARRA)EN (Modifications: Ala-1 = N-terminal Ac, Ala-19 = ε-Ac, X-36 = Dpr, Ala-37 = β-Ac, Glu-53 = C-terminal Amide) |
Labeling Target | Heparin |
Appearance | White lyophilised solid |
Activity | Antagonist |
InChI | InChI=1S/C235H425N111O64/c1-105(306-199(392)143(62-41-91-281-224(250)251)338-208(401)149(68-47-97-287-230(262)263)329-183(376)122(18)303-174(367)116(12)308-193(386)137(56-35-85-275-218(238)239)323-180(373)119(15)300-168(361)110(6)297-171(364)113(9)311-201(394)145(64-43-93-283-226(254)255)340-211(404)152(71-50-100-290-233(268)269)332-190(383)126(22)314-196(389)140(59-38-88-278-221(244)245)326-187(380)129(25)318-205(398)155(76-80-162(352)353)335-177(370)107(3)294-132(28)347)166(359)274-84-34-32-55-158(344-214(407)136(54-31-33-83-236)322-186(379)125(21)317-204(397)148(67-46-96-286-229(260)261)343-210(403)151(70-49-99-289-232(266)267)331-185(378)124(20)305-176(369)118(14)310-195(388)139(58-37-87-277-220(242)243)325-182(375)121(17)302-170(363)112(8)299-173(366)115(11)313-203(396)147(66-45-95-285-228(258)259)342-213(406)154(73-52-102-292-235(272)273)334-192(385)128(24)316-198(391)142(61-40-90-280-223(248)249)328-189(382)131(27)320-207(400)157(78-82-164(356)357)337-179(372)109(5)296-134(30)349)217(410)346-103-53-74-160(346)216(409)345-159(215(408)321-135(165(237)358)75-79-161(350)351)104-293-167(360)106(2)307-200(393)144(63-42-92-282-225(252)253)339-209(402)150(69-48-98-288-231(264)265)330-184(377)123(19)304-175(368)117(13)309-194(387)138(57-36-86-276-219(240)241)324-181(374)120(16)301-169(362)111(7)298-172(365)114(10)312-202(395)146(65-44-94-284-227(256)257)341-212(405)153(72-51-101-291-234(270)271)333-191(384)127(23)315-197(390)141(60-39-89-279-222(246)247)327-188(381)130(26)319-206(399)156(77-81-163(354)355)336-178(371)108(4)295-133(29)348/h105-131,135-160H,31-104,236H2,1-30H3,(H2,237,358)(H,274,359)(H,293,360)(H,294,347)(H,295,348)(H,296,349)(H,297,364)(H,298,365)(H,299,366)(H,300,361)(H,301,362)(H,302,363)(H,303,367)(H,304,368)(H,305,369)(H,306,392)(H,307,393)(H,308,386)(H,309,387)(H,310,388)(H,311,394)(H,312,395)(H,313,396)(H,314,389)(H,315,390)(H,316,391)(H,317,397)(H,318,398)(H,319,399)(H,320,400)(H,321,408)(H,322,379)(H,323,373)(H,324,374)(H,325,375)(H,326,380)(H,327,381)(H,328,382)(H,329,376)(H,330,377)(H,331,378)(H,332,383)(H,333,384)(H,334,385)(H,335,370)(H,336,371)(H,337,372)(H,338,401)(H,339,402)(H,340,404)(H,341,405)(H,342,406)(H,343,403)(H,344,407)(H,345,409)(H,350,351)(H,352,353)(H,354,355)(H,356,357)(H4,238,239,275)(H4,240,241,276)(H4,242,243,277)(H4,244,245,278)(H4,246,247,279)(H4,248,249,280)(H4,250,251,281)(H4,252,253,282)(H4,254,255,283)(H4,256,257,284)(H4,258,259,285)(H4,260,261,286)(H4,262,263,287)(H4,264,265,288)(H4,266,267,289)(H4,268,269,290)(H4,270,271,291)(H4,272,273,292)/t105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159?,160-/m0/s1 |
InChI Key | WRMCCUFFCSYBDM-YUELKKPWSA-N |
Isomeric SMILES | C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)C)NC(=O)C |
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