BioXGEM.Anchor : pocket and moieties

Home

Documentation

Back

Contact us

Target: 2itq_8a  Query compounds: 300  Anchor   V3:  62 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 V3 Moiety type Pocket residue Energy R705 Side L777 Main L778 Main 0138_2itq_8a-ZINC000003830716-0 090 -14.2 -3.8 -2.0 -8.4 0287_2itq_8a-ZINC000003843198-0 012 -13.1 -3.0 -2.5 -7.6 0195_2itq_8a-ZINC000003802690-0 091 -12.5 -2.5 -2.1 -7.9 0084_2itq_8a-ZINC000003872566-0 088 -11.7 -3.1 -1.6 -7.0 0083_2itq_8a-ZINC000001543873-0 090 -11.5 -3.4 -1.9 -6.2 0261_2itq_8a-ZINC000003819138-0 090 -10.1 -2.1 -1.3 -6.7 0035_2itq_8a-ZINC000008214681-0 092 -9.8 -2.9 -1.2 -5.7 0131_2itq_8a-ZINC000003816514-0 091 -9.6 -2.3 -1.9 -5.4 0291_2itq_8a-ZINC000019419017-0 092 -9.5 -2.1 -1.3 -6.1 0146_2itq_8a-ZINC000053229445-0 091 -9.4 -5.7 -1.0 -2.7 0029_2itq_8a-ZINC000008577218-0 052 -9.3 -2.2 -1.2 -5.9 0125_2itq_8a-ZINC000003925861-0 092 -9.2 -3.5 -1.1 -4.6 0006_2itq_8a-ZINC000085537014-0 091 -9.1 -3.2 -1.1 -4.8 0119_2itq_8a-ZINC000000538275-0 091 -9 -2.6 -1.1 -5.3 0154_2itq_8a-ZINC000000403010-0 092 -8.6 -3.5 -1.5 -3.6 0214_2itq_8a-ZINC000053683345-0 091 -8.2 -2.8 -1.4 -4.0 0230_2itq_8a-ZINC000000001773-0 088 -7.6 -1.0 -1.4 -5.2 0293_2itq_8a-ZINC000029319828-0 090 -7.5 -2.0 -0.8 -4.7 0044_2itq_8a-ZINC000003955219-0 088 -7.3 -1.3 -1.1 -4.9 0051_2itq_8a-ZINC000003830635-0 092 -7.3 -1.8 -0.5 -5.0 0197_2itq_8a-ZINC000000120286-0 090 -7.3 -2.8 1.1 -5.6 0038_2itq_8a-ZINC000008214692-0 091 -7.2 -2.6 -1.3 -3.3 0183_2itq_8a-ZINC000098023177-0 090 -7.1 -2.5 -1.7 -2.9 0174_2itq_8a-ZINC000066166864-0 091 -6.4 -1.7 -0.8 -3.9 0087_2itq_8a-ZINC000052955754-0 091 -6.2 -1.5 -1.3 -3.4 0282_2itq_8a-ZINC000001530862-0 090 -5.7 -1.3 -1.0 -3.4 0152_2itq_8a-ZINC000003830276-0 092 -5.6 -1.2 -1.0 -3.4 0218_2itq_8a-ZINC000003915154-0 092 -5.4 -0.2 -1.0 -4.2 0199_2itq_8a-ZINC000003860453-0 090 -5.4 -0.6 -0.2 -4.6 0213_2itq_8a-ZINC000001530694-0 092 -5.2 -1.0 -0.8 -3.4 0255_2itq_8a-ZINC000022447798-0 092 -5.1 -2.2 -0.5 -2.4 0249_2itq_8a-ZINC000003938686-0 092 -5.1 -0.8 -1.0 -3.3 0046_2itq_8a-ZINC000001534965-0 090 -5.1 -1.0 -1.0 -3.1 0017_2itq_8a-ZINC000014879972-0 092 -4.3 -0.7 -0.7 -2.9 0281_2itq_8a-ZINC000001319780-0 088 -4.1 -0.7 -0.7 -2.7 0262_2itq_8a-ZINC000003807804-0 090 -4.1 -0.2 -1.0 -2.9 0066_2itq_8a-ZINC000009212427-0 092 -4 -0.1 -0.9 -3.0 0283_2itq_8a-ZINC000000004009-0 091 -3.8 -0.5 -0.6 -2.7 0292_2itq_8a-ZINC000004258316-0 090 -3.5 -0.1 -0.7 -2.7 0253_2itq_8a-ZINC000053683151-0 090 -3.5 -0.3 -0.8 -2.4 0288_2itq_8a-ZINC000003977981-0 091 -3.5 -0.1 -1.0 -2.4 0075_2itq_8a-ZINC000001995484-0 092 -3.2 -0.3 -0.8 -2.1 0133_2itq_8a-ZINC000003778874-0 090 -3.2 -0.2 -0.7 -2.3 0079_2itq_8a-ZINC000001611274-0 092 -3.1 -0.9 -0.5 -1.7 0232_2itq_8a-ZINC000003920355-0 092 -2.9 -1.0 -0.5 -1.4 0095_2itq_8a-ZINC000003875259-0 090 -2.9 -0.9 -0.5 -1.5 0169_2itq_8a-ZINC000003816292-0 092 -2.8 -0.2 -0.6 -2.0 0091_2itq_8a-ZINC000004468778-0 088 -2.7 -0.8 -0.5 -1.4 0236_2itq_8a-ZINC000000003911-0 092 -2.5 -1.0 -0.2 -1.3 0207_2itq_8a-ZINC000003819392-0 092 -2.6 -0.1 -0.6 -1.9 0216_2itq_8a-ZINC000003992105-0 088 -2.4 -0.7 -0.4 -1.3 0070_2itq_8a-ZINC000003918138-0 092 -2.4 -0.1 -0.6 -1.7 0068_2itq_8a-ZINC000000601253-0 092 -1.6 -0.4 -0.4 -0.8 0275_2itq_8a-ZINC000013818943-0 045 -1.4 -0.1 -0.2 -1.1 0273_2itq_8a-ZINC000043202140-0 092 -1.1 -0.1 -0.1 -0.9 0144_2itq_8a-ZINC000085537026-0 091 -1 -0.1 -0.3 -0.6 0289_2itq_8a-ZINC000058581064-0 092 -0.3 -0.1 -0.1 -0.1 0248_2itq_8a-ZINC000003871978-0 088 -0.3 -0.1 -0.1 -0.1 0200_2itq_8a-ZINC000003871923-0 088 -0.3 -0.1 -0.1 -0.1 0134_2itq_8a-ZINC000003782818-0 090 -0.3 -0.1 -0.1 -0.1 0086_2itq_8a-ZINC000000001899-0 092 -0.3 -0.1 -0.1 -0.1 0047_2itq_8a-ZINC000003918087-0 092 -0.3 -0.1 -0.1 -0.1