We have NOT been able to detect binding of these compounds to T4 lysozyme L99A at high concentrations, and we consider them non-binders.
| Name | Smile string | Reference |
|---|
| CYCLOHEXANE | C1CCCCC1 | Morton et. al., 1995 | | TERT-BUTYLBENZENE | CC(C)(C)c1ccccc1 | Morton et. al., 1995 | | ISOBUTANE | CC(C)C | Morton et. al., 1995 | | CAMPHENE | CC1(C)C2CCC(C2)C1=C | Morton et. al., 1995 | | DL-CAMPHOR | CC1(C)C2CCC1(C)C(=O)C2 | Morton et. al., 1995 | | D-CAMPHOR | CC1(C)C2CCC1(C)C(=O)C2 | Morton et. al., 1995 | | 1-OCTANOL | CCCCCCCCO | Morton et. al., 1995 | | 1-HEPTANOL | CCCCCCCO | Morton et. al., 1995 | | N-HEPTYLBENZENE | CCCCCCCc1ccccc1 | Morton et. al., 1995 | | DIBUTYL-DISULFIDE | CCCCSSCCCC | Morton et. al., 1995 | | 1-PROPANOL | CCCO | Morton et. al., 1995 | | 1,1-DIETHYLUREA | CCN(CC)C(=O)N | Morton et. al., 1995 | | ETHANOL | CCO | Morton et. al., 1995 | | METHANOL | CO | Morton et. al., 1995 | | 3,5-DICHLOROANISOLE | COc1cc(Cl)cc(Cl)c1 | Su et. al., 2001 | | DIMETHYL-SULFOXIDE | CS(=O)C | Morton et. al., 1995 | | MESITYLENE | Cc1cc(C)cc(C)c1 | Morton et. al., 1995 | | 3-METHYLPYRROLE | Cc1cc[nH]c1 | Wei et. al., 2002 | | 2,5-DIMETHYLFURAN | Cc1ccc(C)o1 | Morton et. al., 1995 | | P-CRESOL | Cc1ccc(O)cc1 | Morton et. al., 1995 | | CHLOROFORM | ClC(Cl)Cl | Morton et. al., 1995 | | PENTAFLUOROPHENYL-AZIDE | Fc1c(F)c(F)c(N=[N+]=[N-])c(F)c1F | Morton et. al., 1995 | | 6,7-DIFLUOROBENZOTRIAZOLE | Fc1ccc2nn[nH]c2c1F | Morton et. al., 1995 | | 1,4-DIIODOBENZENE | Ic1ccc(I)cc1 | Morton et. al., 1995 | | 1,2-DIIODOBENZENE | Ic1ccccc1I | Morton et. al., 1995 | | PENTAFLUOROANILINE | Nc1c(F)c(F)c(F)c(F)c1F | Morton et. al., 1995 | | 3,5-DIFLUOROANILINE | Nc1cc(F)cc(F)c1 | Wei et. al., 2002 | | 2,4-DIFLUOROANILINE | Nc1ccc(F)cc1F | Wei et. al., 2002 | | ANILINE | Nc1ccccc1 | Morton et. al., 1995 | | 2-FLUOROANILINE | Nc1ccccc1F | Wei et. al., 2002 | | TRANS-CINNAMALDEHYDE | O=CC=Cc1ccccc1 | Morton et. al., 1995 | | BENZALDEHYDE | O=Cc1ccccc1 | Morton et. al., 1995 | | BENZOIC-ACID | OC(=O)c1ccccc1 | Morton et. al., 1995 | | 2-BROMOETHANOL | OCCBr | Morton et. al., 1995 | | 2-IODOETHANOL | OCCI | Morton et. al., 1995 | | BENZYL-ALCOHOL | OCc1ccccc1 | Morton et. al., 1995 | | BENZALDEHYDE-OXIME | ON=Cc1ccccc1 | Morton et. al., 1995 | | 2,4-DIFLUOROPHENOL | Oc1ccc(F)cc1F | Wei et. al., 2002 | | 3-CHLOROPHENOL | Oc1cccc(Cl)c1 | Morton et. al., 1995 | | PHENOL | Oc1ccccc1 | Wei et. al., 2002 | | AZULENE | c1cc2cccccc2c1 | Morton et. al., 1995 | | QUINOLINE | c1ccc2ncccc2c1 | Morton et. al., 1995 | | PYRIDINE | c1ccncc1 | Morton et. al., 1995 | | FURAN | c1ccoc1 | Morton et. al., 1995 | | ANTHRANIL | c1onc2ccccc12 | Morton et. al., 1995 | | 2-FLUOROBENZALDEHYDE | O=Cc1c(cccc1)F | Graves et. al., 2005 | | 3-FLUOROBENZONITRILE | c1(ccc(cc1)C#N) | Graves et. al., 2005 | | 1-VINYLIMIDAZOLE | C(=C)N1ccnc1 | Graves et. al., 2005 | | 4-VINYLPYRIDINE | c1(ccncc1)C=C | Graves et. al., 2005 | | 5-BROMOPYRIMIDINE | c1ncncc1Br | Graves et. al., 2005 | | NITROSOBENZENE | c1ccc(cc1)N(=O)F | Graves et. al., 2005 | | METHYL CHLORODIFLUOROACETATE | C(C(OC)=O)(F)(F)Cl | Graves et. al., 2005 | | 2-METHYLBENZYL ALCOHOL | c1(CO)c(C)cccc1 | Graves et. al., 2005 | | 2,5-DIAMINOPHENOL | c1(c(N)ccc(c1)N)O | Graves et. al., 2005 | | 1,6-NAPHTHYRIDINE | c12cnccc1nccc2 | Graves et. al., 2005 | | 4-HYDRAZINOTHIENO[2,3-D]PYRIMIDINE | c12c(ncnc1scc2)NN | Graves et. al., 2005 | | 1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE | c12ncnn2cccn1 | Graves et. al., 2005 | | 8-AMINOQUINOLINE | c12cccc(N)c1nccc2 | Graves et. al., 2005 | | 1-METHYLNAPHTHALENE | c12cccc(C)c1cccc2 | Graves et. al., 2005 | | 3-METHOXYMETHYLINDOLE | c12c(COC)c[nH]c2cccc1 | Graves et. al., 2005 | | ACENAPHTHYLENE | c12c3cccc1cccc2C=C3 | Graves et. al., 2005 | | 2-AMINO-4-HYDROXYPTERIDINE | c12c([nH]c(N)nc1nccn2)=O | Graves et. al., 2005 | | 2-(METHYLSULFANYL)-4-QUINAZOLINAMINE | c12nc(SC)nc(c2cccc1)N | Graves et. al., 2005 | | 1-NAPHTHALENEMETHANOL | c12c(cccc1cccc2)CO | Graves et. al., 2005 | | 2-BENZYLPYRIDINE | c1(ccccc1)Cc2ccccn2 | Graves et. al., 2005 |
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