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P11, Antagonist of integrin αVβ3SMILES: CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)OInChIKey: MBZSEGOTVVCKNO-KESUXUJOSA-NInChI: InChI=1S/C30H47N11O10/c1-15(2)24(29(49)39-20(8-17-11-34-14-36-17)26(46)37-19(30(50)51)5-3-4-6-31)41-27(47)21(9-23(43)44)38-28(48)22(12-42)40-25(45)18(32)7-16-10-33-13-35-16/h10-11,13-15,18-22,24,42H,3-9,12,31-32H2,1-2H3,(H,33,35)(H,34,36)(H,37,46)(H,38,48)(H,39,49)(H,40,45)(H,41,47)(H,43,44)(H,50,51)/t18-,19-,20-,21-,22-,24-/m0/s1
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TP508, Activator of integrin αVβ3SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)N)C(=O)OInChIKey: MOZAQZCGIKWACU-VKDININFSA-NInChI: InChI=1S/C97H146N28O36S/c1-48(2)79(96(160)161)123-91(155)60(35-51-15-6-5-7-16-51)119-93(157)66-20-13-33-124(66)73(133)45-104-68(128)40-106-85(149)64(46-126)121-89(153)62(38-77(140)141)114-72(132)44-109-84(148)57(27-29-75(136)137)117-92(156)65(47-162)122-81(145)50(4)110-87(151)61(37-76(138)139)113-71(131)43-107-82(146)54(19-12-32-103-97(101)102)115-86(150)55(17-8-10-30-98)111-69(129)42-108-83(147)56(26-28-74(134)135)116-90(154)63(39-78(142)143)120-94(158)67-21-14-34-125(67)95(159)58(18-9-11-31-99)118-88(152)59(36-52-22-24-53(127)25-23-52)112-70(130)41-105-80(144)49(3)100/h5-7,15-16,22-25,48-50,54-67,79,126-127,162H,8-14,17-21,26-47,98-100H2,1-4H3,(H,104,128)(H,105,144)(H,106,149)(H,107,146)(H,108,147)(H,109,148)(H,110,151)(H,111,129)(H,112,130)(H,113,131)(H,114,132)(H,115,150)(H,116,154)(H,117,156)(H,118,152)(H,119,157)(H,120,158)(H,121,153)(H,122,145)(H,123,155)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,160,161)(H4,101,102,103)/t49-,50-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,79-/m0/s1Synonyms: Chrysalin
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TP0556351, Inhibitor of MMP12;Inhibitor of MMP13;Inhibitor of MMP14;Inhibitor of MMP2;Inhibitor of MMP8;Inhibitor of MMP9IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-(2-amino-2-oxoethyl)pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[5-[[4-(4-carbamoylphenoxy)benzoyl]amino]pentanoylamino]-5-oxopentanoic acidSMILES: CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(cc2)C(=O)N)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(=O)NInChIKey: FVDPKGPPYGTKTO-DLXWRWKMSA-NInChI: InChI=1S/C50H70N10O16/c1-28(2)25-37(49(74)59(3)38(18-20-42(65)66)50(75)60-24-6-7-31(60)26-39(52)61)58-47(72)35(21-22-51)56-48(73)36(27-43(67)68)57-46(71)34(17-19-41(63)64)55-40(62)8-4-5-23-54-45(70)30-11-15-33(16-12-30)76-32-13-9-29(10-14-32)44(53)69/h9-16,28,31,34-38H,4-8,17-27,51H2,1-3H3,(H2,52,61)(H2,53,69)(H,54,70)(H,55,62)(H,56,73)(H,57,71)(H,58,72)(H,63,64)(H,65,66)(H,67,68)/t31-,34-,35-,36-,37-,38-/m0/s1Synonyms: TP0556351|TP-0556351|74RNN4L7X5|UNII-74RNN4L7X5|CHEMBL5169565|2787582-17-4|GTPL12057|GLXC-25892|BDBM50606397|compound...
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echistatin, Antagonist of integrin αVβ3Cas#: 129038-42-2 Compound CID: 16132434SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N5CCC[C@H]5C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]7CCCN7C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)N
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α-conotoxin TxIA, Antagonist of nicotinic acetylcholine receptor α3 subunit;Antagonist of nicotinic acetylcholine receptor α5 subunitSMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)OInChIKey: FIRBQKFGNFGBRC-NLBWWLDMSA-NInChI: InChI=1S/C65H107N21O22S4/c1-6-30(4)49(60(103)72-31(5)50(93)75-34(20-45(67)88)52(95)78-36(21-46(68)89)62(105)84-16-8-12-42(84)58(101)77-35(22-48(91)92)53(96)76-33(19-29(2)3)51(94)82-41(28-112)64(107)108)83-57(100)40(27-111)81-59(102)43-13-9-17-85(43)63(106)44-14-10-18-86(44)61(104)32(11-7-15-71-65(69)70)74-54(97)37(24-87)79-56(99)39(26-110)80-55(98)38(25-109)73-47(90)23-66/h29-44,49,87,109-112H,6-28,66H2,1-5H3,(H2,67,88)(H2,68,89)(H,72,103)(H,73,90)(H,74,97)(H,75,93)(H,76,96)(H,77,101)(H,78,95)(H,79,99)(H,80,98)(H,81,102)(H,82,94)(H,83,100)(H,91,92)(H,107,108)(H4,69,70,71)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,49-/m0/s1
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α-conotoxin PnIA, Antagonist of nicotinic acetylcholine receptor α3 subunit;Antagonist of nicotinic acetylcholine receptor α5 subunitIUPAC Name: 2-[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,51S,56R)-56-(2-aminoacetamido)-6-carbamoyl-21,24-bis(carbamoylmethyl)-51-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-27,30-dimethyl-48-(2-methylpropyl)-8,11,14,20,23,26,29,32,35,41,47,50,53,55-tetradecaoxo-3,4,58,59-tetrathia-7,10,13,19,22,25,28,31,34,40,46,49,52,54-tetradecaazapentacyclo[31.20.7.0^{15,19}.0^{36,40}.0^{42,46}]hexacontan-12-yl]acetic acidSMILES: NCC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)C)C)CC(=O)N)CC(=O)N)C(=O)N)CO)CC(C)C)CCC3InChIKey: VUVGEYBNLLGGBG-MVPSLEAZSA-NInChI: InChI=1S/C65H95N19O22S4/c1-29(2)18-37-63(104)84-17-7-10-46(84)65(106)83-16-6-9-45(83)62(103)81-42-27-110-108-26-41(72-49(89)23-66)59(100)80-43(60(101)78-39(24-85)57(98)76-37)28-109-107-25-40(51(69)92)79-54(95)34(19-32-11-13-33(86)14-12-32)74-56(97)36(22-50(90)91)75-61(102)44-8-5-15-82(44)64(105)38(21-48(68)88)77-55(96)35(20-47(67)87)73-53(94)31(4)70-52(93)30(3)71-58(42)99/h11-14,29-31,34-46,85-86H,5-10,15-28,66H2,1-4H3,(H2,67,87)(H2,68,88)(H2,69,92)(H,70,93)(H,71,99)(H,72,89)(H,73,94)(H,74,97)(H,75,102)(H,76,98)(H,77,96)(H,78,101)(H,79,95)(H,80,100)(H,81,103)(H,90,91)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1Synonyms: A-CONOTOXIN PNIA | S-705300-84-1 | BDBM50516319 | ?-Conotoxin PnIA | Q27074398 | alpha-conotoxin PnIA | GTPL3982 | AK...
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