BioXGEM.Anchor : pocket and moieties

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Target: 2itq_8a  Query compounds: 300  Anchor   H1:  63 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 H1 Moiety type Pocket residue Energy N842 Side D855 Side 0136_2itq_8a-ZINC000003817234-0 010 -13.9 -7.0 -6.9 0137_2itq_8a-ZINC000028957444-0 092 -13.5 -6.8 -6.7 0161_2itq_8a-ZINC000003830405-0 010 -10.5 -7.0 -3.5 0039_2itq_8a-ZINC000013831130-0 012 -9.8 -3.5 -6.3 0063_2itq_8a-ZINC000014210457-0 043 -9.5 -6.0 -3.5 0023_2itq_8a-ZINC000060183170-0 009 -7.3 -2.3 -5.0 0129_2itq_8a-ZINC000003986735-0 003 -7.1 -7.0 -0.1 0116_2itq_8a-ZINC000004215234-0 020 -7 -3.5 -3.5 0033_2itq_8a-ZINC000008220909-0 024 -7 -3.5 -3.5 0015_2itq_8a-ZINC000003914596-0 043 -6.6 -3.1 -3.5 0049_2itq_8a-ZINC000000538621-0 010 -6.4 -3.4 -3.0 0215_2itq_8a-ZINC000011615928-0 043 -5.9 -2.9 -3.0 0020_2itq_8a-ZINC000009164421-0 010 -6 -0.1 -5.9 0198_2itq_8a-ZINC000001481815-0 010 -5.8 -2.5 -3.3 0128_2itq_8a-ZINC000095617678-0 003 -5.4 -1.9 -3.5 0112_2itq_8a-ZINC000164760756-0 043 -5.5 -0.1 -5.4 0102_2itq_8a-ZINC000054053579-0 015 -5 -2.5 -2.5 0271_2itq_8a-ZINC000003913937-0 043 -4.9 -0.1 -4.8 0123_2itq_8a-ZINC000252286876-0 019 -4.7 -0.1 -4.6 0265_2itq_8a-ZINC000000538065-0 010 -3.6 -0.1 -3.5 0222_2itq_8a-ZINC000001554274-0 092 -3.6 -3.5 -0.1 0150_2itq_8a-ZINC000003930376-0 010 -3.6 -0.1 -3.5 0124_2itq_8a-ZINC000014768621-0 012 -3.6 -0.1 -3.5 0099_2itq_8a-ZINC000003918453-0 043 -3.6 -0.1 -3.5 0097_2itq_8a-ZINC000150338698-0 092 -3.6 -0.1 -3.5 0077_2itq_8a-ZINC000003939013-0 010 -3.6 -0.1 -3.5 0026_2itq_8a-ZINC000096006023-0 010 -3.6 -0.1 -3.5 0028_2itq_8a-ZINC000019632618-0 024 -3 -0.1 -2.9 0300_2itq_8a-ZINC000030691760-0 003 -2.6 -0.1 -2.5 0263_2itq_8a-ZINC000000601281-0 043 -2.6 -0.1 -2.5 0259_2itq_8a-ZINC000003798537-0 014 -2.6 -0.1 -2.5 0256_2itq_8a-ZINC000004097404-0 003 -2.6 -0.1 -2.5 0172_2itq_8a-ZINC000049841054-0 043 -2.6 -0.1 -2.5 0155_2itq_8a-ZINC000085540219-0 015 -2.6 -0.1 -2.5 0122_2itq_8a-ZINC000028467879-0 021 -2.6 -0.1 -2.5 0081_2itq_8a-ZINC000238809665-0 019 -2.6 -0.1 -2.5 0078_2itq_8a-ZINC000169289411-0 019 -2.6 -0.1 -2.5 0074_2itq_8a-ZINC000150338699-0 003 -2.6 -0.1 -2.5 0067_2itq_8a-ZINC000085540215-0 015 -2.6 -0.1 -2.5 0058_2itq_8a-ZINC000096006024-0 019 -2.6 -0.1 -2.5 0054_2itq_8a-ZINC000169621200-0 040 -2.6 -0.1 -2.5 0043_2itq_8a-ZINC000026985532-0 043 -2.6 -0.1 -2.5 0025_2itq_8a-ZINC000028639340-0 015 -2.6 -0.1 -2.5 0021_2itq_8a-ZINC000085537053-0 015 -2.6 -0.1 -2.5 0018_2itq_8a-ZINC000238809663-0 003 -2.6 -0.1 -2.5 0016_2itq_8a-ZINC000164760874-0 043 -2.6 -0.1 -2.5 0011_2itq_8a-ZINC000095564694-0 019 -2.6 -0.1 -2.5 0010_2itq_8a-ZINC000028108825-0 040 -2.6 -0.1 -2.5 0298_2itq_8a-ZINC000004655029-0 092 -2.5 -0.1 -2.4 0065_2itq_8a-ZINC000150338708-0 003 -2.5 -0.1 -2.4 0008_2itq_8a-ZINC000169621223-0 015 -2.4 -0.1 -2.3 0280_2itq_8a-ZINC000150338819-0 043 -2.3 -0.1 -2.2 0117_2itq_8a-ZINC000026664090-0 010 -2.3 -0.1 -2.2 0186_2itq_8a-ZINC000100055899-0 009 -1.6 -0.1 -1.5 0246_2itq_8a-ZINC000012468792-0 040 -0.2 -0.1 -0.1 0220_2itq_8a-ZINC000003938684-0 009 -0.2 -0.1 -0.1 0182_2itq_8a-ZINC000085534336-0 009 -0.2 -0.1 -0.1 0141_2itq_8a-ZINC000085537017-0 015 -0.2 -0.1 -0.1 0111_2itq_8a-ZINC000169621220-0 015 -0.2 -0.1 -0.1 0069_2itq_8a-ZINC000022010649-0 022 -0.2 -0.1 -0.1 0042_2itq_8a-ZINC000003871960-0 020 -0.2 -0.1 -0.1 0019_2itq_8a-ZINC000060392785-0 092 -0.2 -0.1 -0.1 0007_2itq_8a-ZINC000003830441-0 010 -0.2 -0.1 -0.1