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41 SMILES Strings for Mas-related G protein-coupled receptor X2 (MRGPRX2)

Compound NameSMILES String
BDBM82507 CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
BDBM82083 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
BDBM82269 CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1
BDBM85324 C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@@H]1CCCN1 |r|
BDBM50000092 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
BDBM50001450 [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
BDBM50019351 COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |r,c:9|
BDBM50037481 C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2 |TLB:9:10:1:15.13.14|
BDBM50037483 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2 |TLB:9:10:1:15.13.14|
BDBM50252954 CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cccc(O)c12 |t:14|
BDBM50290872 CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r|
BDBM50370478 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)ccc5O |r,c:16|
BDBM50386689 COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C |r|
BDBM50413339 CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(NCCCN(C)C)cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F |r,@:16,40|
BDBM50413340 C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@@H]1CCCN1 |r|
BDBM50413341 CC(C)C1C(=O)Nc2ccc(cc2-c2nc3cc(ccc3n12)C(=O)N(C)C1CCN(C)CC1)N1CCN(Cc2ccccc2)CC1
BDBM50413343 CC(C)C1C(=O)Nc2ccc(NC3CCCCCC3)cc2-c2nc3cc(ccc3n12)C(=O)N1CCCN(C)CC1
BDBM50413344 CC(C)C1C(=O)Nc2ccc(NCc3ccccc3)cc2-c2nc3cc(ccc3n12)C(=O)N(C)C1CCN(C)CC1
BDBM50413334 CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F |r,@:42,@@:15|
BDBM50413336 CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F)N1CC[C@@H](C1)NC(C)=O |r,@:33|
BDBM224031 [H][C@]12Cc3ccc(OC)c(O)c3[C@@]3(CCN1C)CC(=O)C(OC)=C[C@]23[H] |c:24,TLB:16:15:24:11.2.3|
BDBM224030 [H][C@@]12Oc3c4c(C[C@@]5([H])NCC[C@@]14[C@@]5([H])C=C[C@@H]2O)ccc3OC |c:18|
BDBM224032 COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45 |t:2,4,THB:21:20:5:22.8.7|
BDBM224029 [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O)ccc3O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |c:18|
BDBM224033 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM224026 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@H](C)O)C(O)=O
BDBM224027 Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r|
BDBM213826 COc1ccc2C[C@@H]3[C@H]4CCCC[C@]4(CCN3C)c2c1 |THB:17:16:8:18.6.5|
BDBM224014 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C |TLB:16:15:1:10.3.4|
BDBM224015 COc1ccc2C[C@H]3[C@H]4C=C[C@@H](O)[C@H]5Oc1c2[C@@]45CCN3C |c:9|
BDBM224016 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C |TLB:16:15:1:10.3.4|
BDBM224017 CN1CC[C@]23[C@@H]4Oc5c2c(C[C@H]1[C@H]3C=C[C@H]4O)ccc5O |c:16|
BDBM224018 CN1CC[C@]2(Cc3nc4ccccc4cc3C[C@@H]2C1)c1cccc(O)c1
BDBM224019 COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OC(C)=O)[C@@H]5Oc1c2[C@]45CCN3C |c:9|
BDBM224020 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC(C)=O)ccc5O |c:16|
BDBM224021 CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O |r|
BDBM224022 COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)[C@@H]5Oc1c2[C@]45CCN3C |c:9|
BDBM224023 CN1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O)cc31 |THB:0:1:9:18.11.12|
BDBM224028 [H][C@]12Cc3ccc(O)cc3[C@@]3(CCCC[C@@]13[H])CCN2C |TLB:20:19:15:9.2.3|
BDBM224025 CCC(C)C(NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(O)=O
BDBM224024 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O