These compounds are known to bind to T4 lysozme L99A:
| Name | Smile string | dTM [°C] | Kd [µM] | PDB | Reference |
|---|
| (2-THIENYLTHIO)ACETONE | CC(=O)CSc1cccs1 | 1.1 | nd | - | Su et. al., 2001 | | 1,2-BENZISOXAZOLE | c1noc2ccccc12 | 0.4 | nd | - | Morton et. al., 1995 | | 1-ETHYL-2-METHYLCYCLOPENTENE | CCC1=C(C)CCC1 | 1.2 | nd | - | Su et. al., 2001 | | 1-PHENYL-1-PROPYNE | CC#Cc1ccccc1 | 3.0 | nd | - | Morton et. al., 1995 | | 1-PHENYLPENTANE | CCCCCc1ccccc1 | 1.2 | nd | - | Morton et. al., 1995 | | 2-(METHYLTHIO)THIOPHENE | CSc1cccs1 | 3.3 | nd | - | Su et. al., 2001 | | 2,3-BENZOFURAN | c2cc1ccccc1o2 | 3.0 | 112.4 | 182L | Morton et. al., 1995 | | 2-ETHYLFURAN | CCc1ccco1 | 1.9 | nd | - | Morton et. al., 1995 | | 2-ETHYLTOLUENE | CCc1ccccc1C | 1.1 | 505.1 | - | Morton et. al., 1995 | | 2-IODOPROPANE | CC(C)I | 1.1 | nd | - | Morton et. al., 1995 | | 2-IODOTOLUENE | Cc1ccccc1I | 1.9 | nd | - | Morton et. al., 1995 | | 2-METHYLBENZOFURAN | Cc1cc2ccccc2o1 | 1.1 | nd | - | Morton et. al., 1995 | | 3-ETHYLTOLUENE | CCc1cccc(C)c1 | 1.1 | 198.0 | - | Morton et. al., 1995 | | 3-IODOTOLUENE | Cc1cccc(c1)I | 2.0 | nd | - | Morton et. al., 1995 | | 3-PHENYL-1-PROPANETHIOL | SCCCc1ccccc1 | 4.5 | nd | - | Morton et. al., 1995 | | 3-PHENYL-1-PROPANOL | OCCCc1ccccc1 | 1.0 | nd | - | Morton et. al., 1995 | | 4-ETHYLTOLUENE | CCc1ccc(C)cc1 | 1.7 | 120.0 | - | Morton et. al., 1995 | | 4-IODOTOLUENE | Cc1ccc(cc1)I | 1.3 | nd | - | Morton et. al., 1995 | | 4-IODOTOLUENE | Cc1ccc(I)cc1 | 1.3 | nd | - | Morton et. al., 1995 | | ALLYL N-PROPYLETHER | CCCOCC=C | 1.4 | nd | - | Morton et. al., 1995 | | ALLYL SULFIDE | C=CCSCC=C | 1.6 | nd | - | Morton et. al., 1995 | | ALLYL ETHYL SULFIDE | CCSCC=C | 1.9 | nd | - | Morton et. al., 1995 | | ANISOLE | COc1ccccc1 | 1.4 | nd | - | Morton et. al., 1995 | | BENZENE | c1ccccc1 | 5.9 | 175.0 | 181L | Eriksson et. al., 1992 | | BENZYL MERCAPTAN | SCc1ccccc1 | 2.1 | nd | - | Morton et. al., 1995 | | BROMOETHANE | CCBr | 2.4 | nd | - | Morton et. al., 1995 | | CYCLOHEXENE | C1CCC=CC1 | 1.0 | nd | - | Morton et. al., 1995 | | DIETHYL DISULFIDE | CCSSCC | 3.5 | nd | - | Morton et. al., 1995 | | DIISOPROPYL DISULFIDE | CC(C)SSC(C)C | 0.7 | nd | - | Morton et. al., 1995 | | IODOETHANE | CCI | 1.6 | nd | - | Morton et. al., 1995 | | ETHYLBENZENE | CCc1ccccc1 | nd | 67.6 | 1NHB | Morton et. al., 1995 | | FLUOROBENZENE | Fc1ccccc1 | 5.9 | nd | - | Morton et. al., 1995 | | HEXAFLUOROBENZENE | Fc1c(c(c(c(c1F)F)F)F)F | 1.5 | nd | - | Morton et. al., 1995 | | INDENE | C1C=Cc2ccccc21 | 1.2 | 193.4 | 183L | Morton et. al., 1995 | | INDOLE | c2cc1ccccc1[nH]2 | 1.7 | 289.9 | 185L | Morton et. al., 1995 | | IODOBENZENE | Ic1ccccc1 | 2.6 | nd | - | Morton et. al., 1995 | | ISOBUTYLBENZENE | CC(C)Cc1ccccc1 | 2.9 | 19.3 | 184L | Morton et. al., 1995 | | METHYLCYCLOHEXANE | CC1CCCCC1 | 1.1 | nd | - | Morton et. al., 1995 | | M-XYLENE | Cc1cccc(c1)C | 1.8 | 363.6 | - | Morton et. al., 1995 | | NAPHTHALENE | c2ccc1ccccc1c2 | 1.0 | nd | - | Morton et. al., 1995 | | N-BUTYLBENZENE | CCCCc1ccccc1 | 1.4 | 14.3 | 186L | Morton et. al., 1995 | | N-HEXYLBENZENE | CCCCCCc1ccccc1 | 0.5 | nd | - | Morton et. al., 1995 | | NITROBENZENE | [O]N(=O)c1ccccc1 | 0.7 | nd | - | Morton et. al., 1995 | | N-PROPYLBENZENE | CCCc1ccccc1 | 6.2 | 18.1 | - | Morton et. al., 1995 | | O-XYLENE | Cc1ccccc1C | 2.9 | 469.5 | 188L | Morton et. al., 1995 | | PHENYLACETYLENE | C#Cc1ccccc1 | 0.7 | nd | - | Morton et. al., 1995 | | DIPROPYL DISULFIDE | CCCSSCCC | 2.0 | nd | - | Morton et. al., 1995 | | P-XYLENE | Cc1ccc(cc1)C | 2.4 | 421.9 | 187L | Morton et. al., 1995 | | SEC-BUTYLBENZENE | CCC(C)c1ccccc1 | 1.3 | nd | - | Morton et. al., 1995 | | STYRENE | C=Cc1ccccc1 | 2.0 | nd | - | Morton et. al., 1995 | | THIANAPHTHENE | c2cc1ccccc1s2 | 1.5 | 73.5 | - | Morton et. al., 1995 | | THIOANISOLE | CSc1ccccc1 | 1.4 | nd | - | Morton et. al., 1995 | | THIOPHENE-2-THIOL | Sc1cccs1 | 2.1 | nd | - | Su et. al., 2001 | | THIOPHENOL | Sc1ccccc1 | 4.5 | nd | - | Su et. al., 2001 | | TOLUENE | Cc1ccccc1 | 4.4 | 102.0 | - | Morton et. al., 1995 |
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