BioXGEM.Anchor : pocket and moieties

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Target: 2itq_8a  Query compounds: 300  Anchor   V6:  76 compounds

Protein Strands Ribbons Cartoons Surface None anchors(on/off) Contents SiMMap (anchors) : 7  anchors Elec(E)    :   Hbond(H) :    vdW(V)    :         Compound : site-moiety map 2itq_8a & 300 compounds Download Binding site SiMMap (anchors) Protein-compound interaction profiles Anchor scores of query compounds

Anchor V6 Moiety type Pocket residue Energy V726 Side K745 Side T790 Side 0215_2itq_8a-ZINC000011615928-0 092 -11.7 -3.1 -4.7 -3.9 0175_2itq_8a-ZINC000095616937-0 052 -11.5 -3.6 -3.9 -4.0 0151_2itq_8a-ZINC000096272772-0 091 -11 -2.5 -5.1 -3.4 0108_2itq_8a-ZINC000022448097-0 090 -10.5 -3.3 -3.6 -3.6 0067_2itq_8a-ZINC000085540215-0 092 -10.2 -2.7 -5.3 -2.2 0061_2itq_8a-ZINC000014210642-0 091 -10.1 -3.2 -5.9 -1.0 0300_2itq_8a-ZINC000030691760-0 088 -9.9 -2.5 -3.6 -3.8 0155_2itq_8a-ZINC000085540219-0 012 -9.8 -2.7 -5.0 -2.1 0193_2itq_8a-ZINC000008143864-0 092 -9.6 -2.6 -3.0 -4.0 0088_2itq_8a-ZINC000008214629-0 092 -9.5 -3.3 -3.6 -2.6 0018_2itq_8a-ZINC000238809663-0 088 -9.4 -2.5 -3.0 -3.9 0258_2itq_8a-ZINC000068202099-0 092 -9.3 -2.0 -4.4 -2.9 0237_2itq_8a-ZINC000100052688-0 089 -9 -1.9 -4.6 -2.5 0109_2itq_8a-ZINC000011679756-0 090 -8.9 -2.0 -3.8 -3.1 0239_2itq_8a-ZINC000003995811-0 092 -8.7 -2.0 -4.8 -1.9 0243_2itq_8a-ZINC000030691727-0 090 -8.6 -1.9 -4.0 -2.7 0090_2itq_8a-ZINC000000643143-0 092 -8.6 -2.3 -3.7 -2.6 0081_2itq_8a-ZINC000238809665-0 092 -8.3 -2.5 -4.0 -1.8 0002_2itq_8a-ZINC000095617679-0 091 -8.3 -1.5 -4.2 -2.6 0186_2itq_8a-ZINC000100055899-0 090 -8.1 -1.6 -4.0 -2.5 0277_2itq_8a-ZINC000001530571-0 092 -7.5 -1.7 -3.2 -2.6 0085_2itq_8a-ZINC000100022637-0 090 -7.5 -2.1 -3.0 -2.4 0010_2itq_8a-ZINC000028108825-0 092 -7.5 -2.0 -5.3 -0.2 0082_2itq_8a-ZINC000203757351-0 090 -6.5 1.2 -4.1 -3.6 0052_2itq_8a-ZINC000003920266-0 092 -6.5 -1.8 -2.7 -2.0 0007_2itq_8a-ZINC000003830441-0 090 -6.5 -1.8 -2.8 -1.9 0211_2itq_8a-ZINC000022851765-0 092 -6.2 -1.7 -2.8 -1.7 0043_2itq_8a-ZINC000026985532-0 090 -6.2 -1.1 -3.4 -1.7 0132_2itq_8a-ZINC000084400879-0 088 -6.1 -1.9 -3.3 -0.9 0222_2itq_8a-ZINC000001554274-0 092 -6 -1.4 -2.7 -1.9 0202_2itq_8a-ZINC000242548690-0 042 -6 -1.3 -3.2 -1.5 0012_2itq_8a-ZINC000071928291-0 092 -5.7 -1.1 -3.1 -1.5 0011_2itq_8a-ZINC000095564694-0 088 -5.6 -1.3 -2.9 -1.4 0021_2itq_8a-ZINC000085537053-0 092 -5.5 -1.8 -1.9 -1.8 0225_2itq_8a-ZINC000022448983-0 091 -5.4 -1.5 -2.6 -1.3 0034_2itq_8a-ZINC000085536932-0 092 -5.3 -1.9 -2.3 -1.1 0121_2itq_8a-ZINC000003938482-0 092 -5.2 -2.5 -2.8 0.1 0009_2itq_8a-ZINC000150601177-0 092 -4.8 -1.1 -2.2 -1.5 0240_2itq_8a-ZINC000003806063-0 088 -4.7 -1.8 -1.6 -1.3 0014_2itq_8a-ZINC000096006013-0 092 -4.7 -1.1 -2.1 -1.5 0008_2itq_8a-ZINC000169621223-0 091 -4.3 -1.5 -1.7 -1.1 0128_2itq_8a-ZINC000095617678-0 092 -4.3 -1.8 -0.7 -1.8 0005_2itq_8a-ZINC000253630390-0 091 -4.3 -0.9 -2.2 -1.2 0064_2itq_8a-ZINC000169621230-0 092 -4.2 -1.8 -1.5 -0.9 0104_2itq_8a-ZINC000036701290-0 091 -3.8 -1.2 -3.7 1.1 0270_2itq_8a-ZINC000019632614-0 092 -3.8 -1.1 -1.7 -1.0 0137_2itq_8a-ZINC000028957444-0 092 -3.8 -0.6 -1.8 -1.4 0117_2itq_8a-ZINC000026664090-0 092 -3.6 -0.8 -1.0 -1.8 0139_2itq_8a-ZINC000014261579-0 088 -3.6 -0.9 -1.0 -1.7 0220_2itq_8a-ZINC000003938684-0 016 -3.3 -0.9 -1.5 -0.9 0263_2itq_8a-ZINC000000601281-0 088 -2.8 -0.7 -1.4 -0.7 0295_2itq_8a-ZINC000003873832-0 092 -2.7 -0.4 -1.6 -0.7 0278_2itq_8a-ZINC000004102194-0 092 -2.7 -0.6 -1.5 -0.6 0182_2itq_8a-ZINC000085534336-0 092 -2.6 -0.4 -1.6 -0.6 0247_2itq_8a-ZINC000003976838-0 092 -2.5 -0.7 -1.0 -0.8 0185_2itq_8a-ZINC000003927822-0 057 -2.5 -0.3 -1.2 -1.0 0114_2itq_8a-ZINC000011615927-0 092 -2.3 -1.1 -0.7 -0.5 0019_2itq_8a-ZINC000060392785-0 092 -2.1 -0.6 -1.2 -0.3 0102_2itq_8a-ZINC000054053579-0 088 -2 -0.5 -0.6 -0.9 0159_2itq_8a-ZINC000043200832-0 091 -1.9 -0.8 -0.5 -0.6 0039_2itq_8a-ZINC000013831130-0 090 -1.9 -0.4 -0.9 -0.6 0077_2itq_8a-ZINC000003939013-0 088 -1.8 -0.3 -0.7 -0.8 0177_2itq_8a-ZINC000008214418-0 092 -1.7 -0.4 -0.9 -0.4 0153_2itq_8a-ZINC000043207238-0 092 -1.4 -0.8 -0.4 -0.2 0124_2itq_8a-ZINC000014768621-0 092 -1.4 -0.4 -0.3 -0.7 0252_2itq_8a-ZINC000011677837-0 092 -1.2 -0.2 -0.1 -0.9 0163_2itq_8a-ZINC000169621231-0 092 -0.2 -1.0 2.2 -1.4 0271_2itq_8a-ZINC000003913937-0 088 -0.3 -0.1 -0.1 -0.1 0257_2itq_8a-ZINC000100052681-0 092 -0.3 -0.1 -0.1 -0.1 0235_2itq_8a-ZINC000043100709-0 092 -0.3 -0.1 -0.1 -0.1 0227_2itq_8a-ZINC000003873936-0 092 -0.3 -0.1 -0.1 -0.1 0156_2itq_8a-ZINC000000643153-0 092 -0.3 -0.1 -0.1 -0.1 0113_2itq_8a-ZINC000011677857-0 091 -0.3 -0.1 -0.1 -0.1 0103_2itq_8a-ZINC000000896717-0 092 -0.3 -0.1 -0.1 -0.1 0078_2itq_8a-ZINC000169289411-0 092 -0.3 -0.1 -0.1 -0.1 0166_2itq_8a-ZINC000003830947-0 092 1.3 -2.4 4.2 -0.5