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109 SMILES Strings for ITGAV/ITGB1

Compound NameSMILES String
BDBM50078714 OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
BDBM50126594 OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1ccccc1
BDBM50138306 CCCCOC(=O)N1C[C@]2(C[C@H]1CNc1ncc[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:22|
BDBM50138307 Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNC1=NCCCN1)CC2)C(O)=O |wU:12.38,t:18,29,(17.72,-7.89,;17.73,-6.34,;19.08,-5.57,;19.08,-4.03,;20.41,-3.26,;17.75,-3.26,;16.4,-4.02,;15.07,-3.23,;16.4,-5.56,;17.75,-1.71,;19.09,-2.5,;16.42,-2.49,;17.77,-.17,;16.44,.6,;15.09,-.17,;13.76,.6,;13.77,2.14,;12.42,-.16,;12.26,-1.69,;10.76,-2,;9.99,-.66,;11.02,.47,;9.22,.67,;7.69,.68,;6.92,-.64,;5.38,-.64,;4.61,.69,;3.07,.69,;2.3,2.03,;.76,2.03,;-.02,.69,;.76,-.64,;2.3,-.64,;7.69,-1.97,;9.21,-1.99,;19.11,.58,;20.44,-.17,;19.11,2.13,)|
BDBM50138308 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ncc[nH]3)N(C2)C(=O)OCc2cccnc2)C1)C(O)=O |t:19|
BDBM50138309 OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1ccccc1 |wU:3.2,t:8,(18.08,-.28,;16.75,.49,;16.75,2.03,;15.41,-.27,;14.08,.51,;12.73,-.27,;11.39,.51,;11.41,2.05,;10.06,-.26,;9.9,-1.78,;8.39,-2.09,;7.63,-.76,;8.66,.37,;6.85,-2.08,;5.33,-2.08,;4.56,-.75,;3.02,-.73,;2.25,.6,;.71,.6,;-.2,1.86,;-1.68,1.38,;-1.68,-.16,;-.2,-.64,;5.33,.58,;6.86,.58,;15.39,-1.81,;14.06,-2.58,;16.74,-2.6,;15.39,-3.35,;16.72,-4.12,;16.72,-5.67,;15.37,-6.44,;14.04,-5.66,;14.04,-4.12,)|
BDBM50138310 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNC3N=CC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:28,30,t:19|
BDBM50138311 Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)C(O)=O |wU:12.37,t:18,(10.17,-7.03,;10.18,-5.49,;11.52,-4.72,;11.52,-3.18,;12.85,-2.41,;10.2,-2.41,;8.86,-3.16,;7.53,-2.39,;8.85,-4.7,;10.21,-.87,;8.88,-1.64,;11.54,-1.64,;10.21,.67,;8.88,1.44,;7.55,.68,;6.22,1.45,;6.22,2.99,;4.88,.69,;4.72,-.84,;3.21,-1.15,;2.45,.18,;3.48,1.32,;1.68,-1.13,;.15,-1.13,;-.61,.2,;-2.15,.2,;-2.92,1.53,;-4.46,1.53,;-5.36,2.79,;-6.83,2.33,;-6.83,.79,;-5.37,.3,;.15,1.53,;1.69,1.52,;11.56,1.44,;12.89,.67,;11.56,2.98,)|
BDBM50138312 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(CN[C@H](CNc3ncc[nH]3)C2)C1)C(O)=O |t:19|
BDBM50138313 CCCCOC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:27|
BDBM50138314 OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1c(Cl)cccc1Cl |wU:3.2,t:8,(17.13,-1.91,;15.8,-1.14,;15.8,.4,;14.45,-1.9,;13.12,-1.13,;11.79,-1.9,;10.46,-1.13,;10.46,.41,;9.12,-1.89,;8.96,-3.41,;7.45,-3.72,;6.7,-2.39,;7.72,-1.26,;5.91,-3.71,;4.39,-3.71,;3.62,-2.38,;2.08,-2.36,;1.33,-1.03,;-.21,-1.03,;-1.11,.23,;-2.58,-.26,;-2.58,-1.8,;-1.12,-2.27,;4.39,-1.05,;5.94,-1.06,;14.45,-3.44,;13.12,-4.21,;15.78,-4.22,;14.44,-4.98,;15.76,-5.75,;17.09,-4.98,;15.76,-7.29,;14.42,-8.06,;13.09,-7.28,;13.1,-5.74,;11.77,-4.96,)|
BDBM50138316 Cc1cccc(C)c1S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)C(O)=O |wU:11.36,t:17,(16.18,-5.47,;14.85,-6.23,;14.85,-7.77,;13.5,-8.54,;12.17,-7.77,;12.17,-6.23,;10.83,-5.45,;13.52,-5.47,;13.52,-3.93,;12.19,-4.7,;14.87,-4.71,;13.54,-2.38,;12.21,-1.61,;10.86,-2.37,;9.52,-1.6,;9.54,-.05,;8.19,-2.37,;8.03,-3.89,;6.52,-4.21,;5.76,-2.88,;6.79,-1.74,;4.98,-4.19,;3.46,-4.19,;2.69,-2.86,;1.15,-2.85,;.38,-1.52,;-1.16,-1.52,;-2.07,-.26,;-3.55,-.73,;-3.55,-2.28,;-2.07,-2.74,;3.46,-1.53,;4.99,-1.53,;14.88,-1.62,;16.21,-2.39,;14.88,-.08,)|
BDBM50138317 Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1nc3ccccc3[nH]1)CC2)C(O)=O |wU:12.42,t:18,(18.93,-7.62,;18.93,-6.08,;20.29,-5.31,;20.29,-3.77,;21.62,-3,;18.97,-3,;17.63,-3.76,;16.3,-2.97,;17.62,-5.3,;18.98,-1.45,;17.65,-2.22,;20.31,-2.24,;18.98,.09,;17.65,.86,;16.32,.09,;14.99,.86,;14.99,2.4,;13.65,.09,;13.49,-1.43,;11.98,-1.73,;11.23,-.4,;12.25,.72,;10.44,-1.73,;8.92,-1.71,;8.15,-.38,;6.61,-.38,;5.86,.95,;4.32,.95,;3.42,2.21,;1.94,1.74,;.61,2.51,;-.74,1.74,;-.72,.18,;.61,-.58,;1.94,.19,;3.41,-.29,;8.92,.93,;10.46,.93,;20.33,.84,;21.66,.07,;20.33,2.38,)|
BDBM50138318 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ccccn3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |t:19|
BDBM50138319 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ncc[nH]3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |t:19|
BDBM50138320 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3nc4ccccc4[nH]3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |t:19|
BDBM50138321 COC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:24|
BDBM50138323 COC(=O)N1C[C@]2(C[C@H]1CNc1ncc[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:19|
BDBM50138324 OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccccc1 |wU:3.2,t:8,(13,2.29,;11.67,3.06,;11.67,4.6,;10.32,2.3,;8.99,3.07,;7.66,2.3,;6.33,3.07,;6.33,4.61,;4.99,2.31,;4.83,.79,;3.32,.48,;2.57,1.81,;3.59,2.94,;1.78,.49,;.26,.49,;-.51,1.82,;-2.05,1.84,;-2.8,3.17,;-4.34,3.17,;-5.24,4.43,;-6.71,3.94,;-6.71,2.4,;-5.25,1.93,;.26,3.15,;1.8,3.14,;10.32,.76,;11.65,-.02,;8.99,-.01,;10.31,-.78,;8.97,-1.54,;7.64,-.75,;8.96,-3.08,;10.29,-3.86,;11.63,-3.09,;11.63,-1.55,;12.96,-.78,;10.29,-5.4,;11.6,-6.17,;11.6,-7.7,;10.27,-8.48,;8.94,-7.7,;8.94,-6.16,)|
BDBM50141309 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]-[#6](-[#7]S(=O)(=O)c2ccccc2)-[#6](-[#8])=O)cc1
BDBM50141310 [#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
BDBM50141311 Cc1cc(C=CC(O)=O)cc(C)c1NC(=O)c1cccc(NC2=NCCN2)c1 |w:5.5,t:23|
BDBM50141312 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]=[#6]-[#6](-[#8])=O)cc1 |w:18.19|
BDBM50141313 CC(C)OC(=O)NC(Cc1ccc(NC(=O)c2cccc(Nc3nc(O)c[nH]3)c2)cc1)C(O)=O
BDBM50141314 OC(=O)C1CC1c1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1 |t:20|
BDBM50141316 [#6]-c1cc(-[#6]=[#6]-[#6](-[#8])=O)cc(-[#6])c1-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6](/[#7])-[#7] |w:5.5|
BDBM50141318 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6](-[#8])=O)cc1
BDBM50141320 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]-[#6]-[#6](-[#8])=O)cc1
BDBM50141322 OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1 |w:3.2,t:18|
BDBM50141323 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(cc1)-[#6]-1-[#6]-[#6]-1-[#6](-[#8])=O
BDBM50141324 COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1CC(NC(=O)OC(C)C)C(O)=O |t:14|
BDBM50141327 Cc1cc(C=CC(O)=O)ccc1NC(=O)c1cccc(NC2=NCCCN2)c1 |w:5.5,t:22|
BDBM50141328 COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1CCC(O)=O |t:14|
BDBM50141329 OC(=O)C(Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1)NS(=O)(=O)c1ccccc1 |t:18|
BDBM50141330 [#6]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#6]=[#6]-[#6](-[#8])=O |w:21.23|
BDBM50141331 [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#8]-[#6]-[#6](-[#8])=O
BDBM50141333 [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
BDBM50141334 [#6]-[#6](-[#6])-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
BDBM50141339 [#6]C([#6])([#6])[#7]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
BDBM50141342 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]=[#6]-[#6](-[#8])=O)cc1F |w:18.19|
BDBM50141343 OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)c(Cl)c1 |w:3.2,t:18|
BDBM50141344 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]=[#6]-[#6](-[#8])=O)cc1Cl |w:18.19|
BDBM50141346 OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1Cl |w:3.2,t:18|
BDBM50141350 [#6]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
BDBM50141354 COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1OCC(O)=O |t:14|
BDBM50141355 [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6](-[#6])-[#6])-[#6](-[#8])=O
BDBM50177618 OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2CCOc2c1
BDBM50177626 OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2ncoc2c1
BDBM50177628 OC(=O)C[C@H](Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1
BDBM50209131 OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 |w:4.4|
BDBM50209132 OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1 |w:6.7,4.3|
BDBM50209119 CC(CC(O)=O)Cc1ccc(OCCCNc2ccccn2)cc1 |w:1.0|
BDBM50209121 OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:6.7,4.3|
BDBM50209130 OC(=O)CC1CC1c1ccc(OCCCNc2ccccn2)cc1 |w:6.7,4.3|
BDBM50414896 [#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r|
BDBM50433575 CCN(CC)c1ncc(N(CC#C)S(=O)(=O)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
BDBM50421658 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(C[C@@H](CNC3N=CC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:28,30,t:19|
BDBM50199198 NC(=N)NC12CC3CC(C1)CC(C3)(C2)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r,TLB:12:11:7.6.5:9,3:4:7:10.12.11,14:11:7:5.4.9,THB:12:6:9:10.11.13,13:11:7:5.4.9,13:4:7:10.12.11|
BDBM50199334 CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)CCCCNC(N)=N)cc1)C(O)=O |r|
BDBM50199338 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199339 OC(=O)[C@H](Cc1ccc(NC(=O)CCCCNC2=NCCCN2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 |r,t:17|
BDBM50199343 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(c2)[N+]([O-])=O)C(O)=O)cc1 |r|
BDBM50199406 NC(=N)Nc1ccc(CC(=O)Nc2ccc(C[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)C(O)=O)cc2)cc1 |r|
BDBM50199409 C[C@]1(CCCN1S(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccc(NC(=O)CCCCNC(N)=N)cc1)C(O)=O |r|
BDBM50199195 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199400 NC(=N)Nc1ccc(cc1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199401 Cc1ccc(NCCCC(=O)Nc2ccc(C[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)C(O)=O)cc2)nc1 |r|
BDBM50199402 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C(O)=O)cc1 |r|
BDBM50199199 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CSCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199200 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)C(O)=O)cc1 |r|
BDBM50199201 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(F)cc(F)c2)C(O)=O)cc1 |r|
BDBM50199305 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2[N+]([O-])=O)C(O)=O)cc1 |r|
BDBM50199333 OC(=O)[C@H](Cc1ccc(NC(=O)CCCCNc2ccccn2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 |r|
BDBM50199335 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2C[C@H](F)CN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199336 Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)CCCNC(N)=N)cc1)C(O)=O |r|
BDBM50199337 NC(=N)NCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199340 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199341 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2C=CCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r,c:21|
BDBM50199342 Cc1ccc(c2ccccc12)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)CCCCNC(N)=N)cc1)C(O)=O |r|
BDBM50199344 Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)CCCCNC(N)=N)cc1)C(O)=O |r|
BDBM50199196 OC(=O)[C@H](Cc1ccc(NC(=O)CCCNc2ccccn2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 |r|
BDBM50199399 NC(=N)NCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199410 Cc1cccc(NCCCC(=O)Nc2ccc(C[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)C(O)=O)cc2)n1 |r|
BDBM50199403 Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)CCCCNC(N)=N)cc1)C(O)=O |r|
BDBM50199405 Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)CCCNC(N)=N)cc1)C(O)=O |r|
BDBM50199408 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccnc2)C(O)=O)cc1 |r|
BDBM50199411 OC(=O)[C@H](Cc1ccc(NC(=O)CCCNC2=NCCN2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 |r,t:16|
BDBM50199197 OC(=O)[C@H](Cc1ccc(NC(=O)CCCCNC2=NCCN2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 |r,t:17|
BDBM50199345 NC(=N)Nc1cccc(c1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199398 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199407 NC(=N)N[C@H]1CC[C@H](CC1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r,wU:18.18,7.10,4.3,wD:22.22,(45.31,-17.29,;45.36,-15.75,;46.72,-15.02,;44.05,-14.93,;42.69,-15.66,;42.64,-17.2,;41.29,-17.92,;39.98,-17.11,;40.02,-15.57,;41.38,-14.85,;38.64,-17.84,;38.59,-19.38,;37.32,-17.03,;35.97,-17.76,;35.92,-19.3,;34.56,-20.03,;33.26,-19.21,;31.9,-19.94,;31.85,-21.48,;30.49,-22.21,;29.18,-21.4,;29.23,-19.86,;27.83,-22.13,;27.34,-23.59,;25.8,-23.6,;25.33,-22.13,;26.58,-21.22,;26.57,-19.68,;27.66,-18.58,;28.07,-20.07,;25.24,-18.91,;25.25,-17.38,;23.92,-16.61,;22.59,-17.38,;22.59,-18.92,;23.92,-19.68,;33.16,-22.29,;34.52,-21.56,;33.11,-23.83,;33.3,-17.68,;34.65,-16.95,)|
BDBM50199412 CC1(C)SCN([C@@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)CCCCNC(N)=N)cc1)C(O)=O)S(=O)(=O)c1ccccc1 |r|
BDBM279565 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:34|
BDBM279566 OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:36|
BDBM279567 OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:33|
BDBM279568 OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:36|
BDBM279560 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:34|
BDBM279569 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)=NC1 |r,c:40|
BDBM279570 Cc1cc(Br)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28|
BDBM279571 Cc1cc(Cl)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28|
BDBM279572 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(F)cc(Br)c2)=NC1 |r,c:34|
BDBM279573 OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:33|
BDBM279561 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:37|
BDBM279575 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(OC(F)(F)F)c2)=NC1 |r,c:38|
BDBM279576 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(OC(F)(F)F)c2)=NC1 |r,c:38|
BDBM279574 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Cl)c2)=NC1 |r,c:34|
BDBM279562 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)F)=NC1 |r,c:36|
BDBM279563 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)F)=NC1 |r,c:36|
BDBM279564 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:37|