3mo5 A 2.14 BS01 ZN A 1 C1031 C1044 C1074 C1078 C54 C67 C97 C101 Y1124 Y1211 Y147 Y231 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 1 IVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDGEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 A 2.14 BS02 ZN A 2 C1037 C1074 C1080 C1084 C60 C97 C103 C107 Y1124 Y1211 Y147 Y231 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 2 IVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDGEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 A 2.14 BS03 ZN A 3 C1031 C1033 C1037 C1042 C54 C56 C60 C65 Y1124 Y1211 Y147 Y231 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 3 IVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDGEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 A 2.14 BS04 ZN A 4 C1172 C1225 C1227 C1232 C192 C245 C247 C252 Y1124 Y1211 Y147 Y231 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 4 IVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDGEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 A 2.14 BS05 E72 A 1 D1131 A1134 D1135 R1137 D1140 L1143 D1145 Y1211 R1214 F1215 D154 A157 D158 R160 D163 L166 D168 Y231 R234 F235 Y1124 Y1211 Y147 Y231 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Kd=136nM -logKd/Ki=6.87, Kd=136nM IC50=100nM, Kd=136nM Q9H9B1 20434463 1236 IVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDGEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 B 2.14 BS01 ZN B 1 C1031 C1044 C1074 C1078 C56 C69 C99 C103 Y1124 Y1211 Y149 Y234 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 5 ERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDNKEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 B 2.14 BS02 ZN B 2 C1037 C1074 C1080 C1084 C62 C99 C105 C109 Y1124 Y1211 Y149 Y234 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 6 ERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDNKEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 B 2.14 BS03 ZN B 3 C1031 C1033 C1037 C1042 C56 C58 C62 C67 Y1124 Y1211 Y149 Y234 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 7 ERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDNKEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 B 2.14 BS04 ZN B 4 C1172 C1225 C1227 C1232 C195 C248 C250 C255 Y1124 Y1211 Y149 Y234 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 8 ERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDNKEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 B 2.14 BS05 E72 B 1 D1131 A1134 D1135 V1136 D1140 S1141 L1143 D1145 Y1211 R1214 F1215 D156 A159 D160 V161 D165 S166 L168 D170 Y234 R237 F238 Y1124 Y1211 Y149 Y234 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Kd=136nM IC50=100nM, Kd=136nM Q9H9B1 20434463 2 ERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDNKEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 C 2.14 BS01 ZN C 1 C1031 C1044 C1074 C1078 C57 C70 C100 C104 Y1124 Y1211 Y150 Y234 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 1 VERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDGEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 C 2.14 BS02 ZN C 2 C1037 C1074 C1080 C1084 C63 C100 C106 C110 Y1124 Y1211 Y150 Y234 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 2 VERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDGEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 C 2.14 BS03 ZN C 3 C1031 C1033 C1037 C1042 C57 C59 C63 C68 Y1124 Y1211 Y150 Y234 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 3 VERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDGEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 C 2.14 BS04 ZN C 4 C1172 C1225 C1227 C1232 C195 C248 C250 C255 Y1124 Y1211 Y150 Y234 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 4 VERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDGEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 C 2.14 BS05 SAH C 1 M1105 G1106 W1107 Y1142 R1166 N1169 H1170 Y1211 R1226 M131 G132 W133 Y168 R189 N192 H193 Y234 R249 Y1124 Y1211 Y150 Y234 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 IC50=230nM Q9H9B1 20434463 103 VERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDGEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 C 2.14 BS06 E72 C 1 D1131 A1134 D1135 D1140 L1143 D1145 Y1211 R1214 F1215 D157 A160 D161 D166 L169 D171 Y234 R237 F238 Y1124 Y1211 Y150 Y234 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Kd=136nM IC50=100nM, Kd=136nM Q9H9B1 20434463 1236 VERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDGEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 D 2.14 BS01 ZN D 1 C1031 C1044 C1074 C1078 C56 C69 C99 C103 Y1124 Y1211 Y149 Y232 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 5 ERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 D 2.14 BS02 ZN D 2 C1037 C1074 C1080 C1084 C62 C99 C105 C109 Y1124 Y1211 Y149 Y232 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 6 ERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 D 2.14 BS03 ZN D 3 C1031 C1033 C1037 C1042 C56 C58 C62 C67 Y1124 Y1211 Y149 Y232 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 7 ERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 D 2.14 BS04 ZN D 4 C1172 C1225 C1227 C1232 C193 C246 C248 C253 Y1124 Y1211 Y149 Y232 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Q9H9B1 20434463 8 ERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 D 2.14 BS05 SAH D 1 M1105 G1106 W1107 Y1142 R1166 N1169 H1170 Y1211 F1215 F1223 M130 G131 W132 Y167 R187 N190 H191 Y232 F236 F244 Y1124 Y1211 Y149 Y232 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 IC50=230nM Q9H9B1 20434463 104 ERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS 3mo5 D 2.14 BS06 E72 D 1 D1131 A1134 D1135 R1137 D1140 L1143 D1145 Y1211 R1214 F1215 D156 A159 D160 R162 D165 L168 D170 Y232 R235 F236 Y1124 Y1211 Y149 Y232 2.1.1.-,2.1.1.367 0002039,0005634,0008270,0016279,0042054,0046974 Kd=136nM IC50=100nM, Kd=136nM Q9H9B1 20434463 4 ERIVSRDIARGYERIPIPCVNAVDSEPCPSNYKYVSQNCVTSPMNIDRNITHLQYCVCIDDCSSSNCMCGQLSMRCWYDKDGRLLPEFNMAEPPLIFECNHACSCWRNCRNRVVQNGLRARLQLYRTRDMGWGVRSLQDIPPGTFVCEYVGELISDSEADVREEDSYLFDLDEVYCIDARFYGNVSRFINHHCEPNLVPVRVFMAHQDLRFPRIAFFSTRLIEAGEQLGFDYGERFWDIKGKLFSCRCGSPKCRHS