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 IsoMIF Home    IsoMIF Finder   Get Started Guide

The IsoMIF Finder Interface allows you to identify binding site molecular interaction field (MIF) similarities between a query protein structure and a database of pre-calculated MIFs or user defined cavity MIFs. For detailed information on IsoMIF please see the paper below:

Chartier M. and Najmanovich R. (2015) Detection of Binding Site Molecular Interaction Field Similarities. Journal of Chemical Information and Modeling. PubMed | JCIM | PDF

Chartier M., Étienne Adriansen and Najmanovich R. (2015) IsoMIF Finder: online detection of binding site molecular interaction field similarities. Bioinformatics, Oxford Journals. PubMed | Bioinformatics | PDF

See results example page.
Git Page

Download Pre-Calculated Mifs

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Job info
PDB: 6COX.pdb
Protein Name: CYCLOOXYGENASE-2
ResNumC: S58701B-
Visualization: top 25
The number of top results 100
Email: your@email.com
Dataset: drugs
JobID: LOCKtmpIMFIexample
Grid Resolution: 1.5 Å
Geometric Distance Threshold: 3.00 Å
Date Launched: October 21, 2015, 8:09 pm

Toggle Log  |   Show complete Log details

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Log generated Wed Oct 21 20:54:20 EDT 2015

Total job progress: 100.00%

Getting Cavities
Done
Getting PDB Cavity Info
Done
All finished finding cavities
Calculating MIFs
Done
Generating PyMOL Sessions for 1 MIF(s)...
Done
Generating images of MIFs.
100.00% 1 of 1
Done
Jobs for 412 MIF similarities queued...
100.00% 412 of 412
Done
Generating 62 PyMOL Sessions for top 25 hits.
Done
Generating images of MIF similarities for top hits.
100.00% 62 of 62
Done
All finished finding MIF similarities

Refresh
Log generated Wed Oct 21 20:54:20 EDT 2015

Total job progress: 100.00%

Getting Cavities
Getting PDB 6COX
Adding hydrogens to 6COX with Reduce
Finding cavities of 6COX with GetCleft
Creating images for cavity qry6COX_S58_701_B_-
Getting residues in contact with query cavities
Done
Getting PDB Cavity Info
qry6COX_S58701B- S58 701 B - {%} PF03098 {%} Q05769 {%} CYCLOOXYGENASE-2
Done
All finished finding cavities
Calculating MIFs
100%
Done
Generating PyMOL Sessions for 1 MIF(s)...
100%
Done
Generating images of MIFs.
100.00% 1 of 1
Done
Jobs for 412 MIF similarities queued...
100.00% 412 of 412
Done
Generating 62 PyMOL Sessions for top 25 hits.
54.8387096774194%
72.5806451612903%
88.7096774193548%
100%
Done
Generating images of MIF similarities for top hits.
1.61% 1 of 62
3.23% 2 of 62
4.84% 3 of 62
6.45% 4 of 62
8.06% 5 of 62
9.68% 6 of 62
11.29% 7 of 62
12.90% 8 of 62
14.52% 9 of 62
16.13% 10 of 62
17.74% 11 of 62
19.35% 12 of 62
20.97% 13 of 62
22.58% 14 of 62
24.19% 15 of 62
25.81% 16 of 62
27.42% 17 of 62
29.03% 18 of 62
30.65% 19 of 62
32.26% 20 of 62
33.87% 21 of 62
35.48% 22 of 62
37.10% 23 of 62
38.71% 24 of 62
40.32% 25 of 62
41.94% 26 of 62
43.55% 27 of 62
45.16% 28 of 62
46.77% 29 of 62
48.39% 30 of 62
50.00% 31 of 62
51.61% 32 of 62
53.23% 33 of 62
54.84% 34 of 62
56.45% 35 of 62
58.06% 36 of 62
59.68% 37 of 62
61.29% 38 of 62
62.90% 39 of 62
64.52% 40 of 62
66.13% 41 of 62
67.74% 42 of 62
69.35% 43 of 62
70.97% 44 of 62
72.58% 45 of 62
74.19% 46 of 62
75.81% 47 of 62
77.42% 48 of 62
79.03% 49 of 62
80.65% 50 of 62
82.26% 51 of 62
83.87% 52 of 62
85.48% 53 of 62
87.10% 54 of 62
88.71% 55 of 62
90.32% 56 of 62
91.94% 57 of 62
93.55% 58 of 62
95.16% 59 of 62
96.77% 60 of 62
98.39% 61 of 62
100.00% 62 of 62
Done
All finished finding MIF similarities


Cavity 1
View MIF: PyMOL | GIF | PNG
Download:
All hits sorted by: tanimoto | nodes
MIF files: Query | drugs (1.5 Å)
Sort by: Tanimoto | Nodes
Different Pfam: Yes | No
# HitTanimoto Zscore Nodes Zscore Search
Space
6COX
Search
Space
target
Crystalized
Ligand
Pfam Uniprot Protein Name PyMol GIF PNG
1 4COX_IMN701B-0.4541 3.59 89 2.73 143 142 IMN-701-B-- PF03098 Q05769 CYCLOOXYGENASE-2 pmlGIFPNG
2 3N8X_NIM701A-0.3651 2.24 69 1.36 143 115 NIM-701-A-- PF03098 P05979 PROSTAGLANDIN G/H SYNTHASE 1 pmlGIFPNG
3 1TD7_NFL2001A-0.3529 2.06 66 1.15 143 110 NFL-2001-A-- PF00068 P60045 PHOSPHOLIPASE A2 ISOFORM 3 pmlGIFPNG
4 1ZZ1_SHH2452A-0.3478 1.98 72 1.56 143 136 SHH-2452-A-- PF00850 Q70I53 HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE pmlGIFPNG
5 2Q7I_TES205A-0.3476 1.98 65 1.08 143 109 TES-205-A-- PF00104 P10275 ANDROGEN RECEPTOR pmlGIFPNG
6 2AYL_FLP2701BA0.3468 1.97 60 0.74 143 90 FLP-2701-B-A PF03098 P05979 PROSTAGLANDIN G/H SYNTHASE 1 pmlGIFPNG
7 4M11_MXM606BA0.3422 1.90 64 1.01 143 108 MXM-606-B-A PF03098 Q05769 PROSTAGLANDIN G/H SYNTHASE 2 pmlGIFPNG
8 1RJ6_AZM400A-0.3371 1.82 60 0.74 143 95 AZM-400-A-- PF00194 Q9WVT6 CARBONIC ANHYDRASE XIV pmlGIFPNG
9 4O1Z_MXM807AA0.3352 1.79 61 0.81 143 100 MXM-807-A-A PF03098 P05979 PROSTAGLANDIN G/H SYNTHASE 1 pmlGIFPNG
10 2WX2_TPF1460B-0.3318 1.74 70 1.43 143 138 TPF-1460-B-- PF00067 Q7Z1V1 LANOSTEROL 14-ALPHA-DEMETHYLASE pmlGIFPNG
11 2XKW_P1B1478AA0.3291 1.70 78 1.97 143 172 P1B-1478-A-A PF00104 P37231 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA pmlGIFPNG
12 3JUS_ECN602AA0.3284 1.69 67 1.22 143 128 ECN-602-A-A PF00067 Q16850 LANOSTEROL 14-ALPHA DEMETHYLASE pmlGIFPNG
13 3OLS_EST600B-0.3283 1.69 65 1.08 143 120 EST-600-B-- PF00104 Q92731 ESTROGEN RECEPTOR BETA pmlGIFPNG
14 3MDZ_EZL264A-0.3263 1.66 62 0.88 143 109 EZL-264-A-- PF00194 P43166 CARBONIC ANHYDRASE 7 pmlGIFPNG
15 2AM9_TES1000A-0.3229 1.60 62 0.88 143 111 TES-1000-A-- PF00104 P10275 ANDROGEN RECEPTOR pmlGIFPNG
16 3LN1_CEL682A-0.3220 1.59 66 1.15 143 128 CEL-682-A-- PF03098 Q05769 PROSTAGLANDIN G/H SYNTHASE 2 pmlGIFPNG
17 1PXX_DIF701A-0.3212 1.58 62 0.88 143 112 DIF-701-A-- PF03098 Q05769 PROSTAGLANDIN G/H SYNTHASE 2 pmlGIFPNG
18 3RFM_CFF330A-0.3211 1.58 61 0.81 143 108 CFF-330-A-- PF00001 P29274 ADENOSINE RECEPTOR A2A pmlGIFPNG
19 1GS4_ZK51918A-0.3208 1.57 68 1.29 143 137 ZK5-1918-A-- PF00104 P10275 ANDROGEN RECEPTOR pmlGIFPNG
20 4U5J_RXT601B-0.3196 1.55 62 0.88 143 113 RXT-601-B-- PF07714 P00523 PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC pmlGIFPNG
21 1EQG_IBP1701B-0.3187 1.54 58 0.60 143 97 IBP-1701-B-- PF03098 P05979 PROSTAGLANDIN H2 SYNTHASE-1 pmlGIFPNG
22 3TVX_PNX902B-0.3184 1.54 64 1.01 143 122 PNX-902-B-- PF00233 P27815 CAMP-SPECIFIC 3' -5'-CYCLIC PHOSPHODIESTERASE 4A pmlGIFPNG
23 4DM8_REA501A-0.3182 1.53 70 1.43 143 147 REA-501-A-- PF00104 P10826 RETINOIC ACID RECEPTOR BETA pmlGIFPNG
24 3CLB_TMQ611A-0.3174 1.52 73 1.63 143 160 TMQ-611-A-- PF00303 Q27793 DHFR-TS pmlGIFPNG
25 1G5Y_REA502C-0.3143 1.47 66 1.15 143 133 REA-502-C-- PF00104 P19793 RETINOIC ACID RECEPTOR RXR-ALPHA pmlGIFPNG
26 1Y0X_T44500X-0.3143 1.47 66 1.15 143 133 T44-500-X-- PF00104 P10828 THYROID HORMONE RECEPTOR BETA-1 pmlGIFPNG
27 4AGD_B492000A-0.3141 1.47 60 0.74 143 108 B49-2000-A-- PF07714 P35968 VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 pmlGIFPNG
28 2WUZ_TPF1460B-0.3140 1.47 65 1.08 143 129 TPF-1460-B-- PF00067 Q7Z1V1 LANOSTEROL 14-ALPHA-DEMETHYLASE - PUTATIVE pmlGIFPNG
29 3HS6_EPA1B-0.3140 1.47 65 1.08 143 129 EPA-1-B-- PF03098 Q05769 PROSTAGLANDIN G/H SYNTHASE 2 pmlGIFPNG
30 3CZV_AZM263A-0.3140 1.47 54 0.33 143 83 AZM-263-A-- PF00194 Q8N1Q1 CARBONIC ANHYDRASE 13 pmlGIFPNG
31 2Q7K_TES304A-0.3138 1.47 59 0.67 143 104 TES-304-A-- PF00104 P10275 ANDROGEN RECEPTOR pmlGIFPNG
32 1A28_STR1A-0.3119 1.44 63 0.95 143 122 STR-1-A-- PF00104 P06401 PROGESTERONE RECEPTOR pmlGIFPNG
33 2OCF_EST596A-0.3109 1.42 60 0.74 143 110 EST-596-A-- PF12743 P03372 ESTROGEN RECEPTOR pmlGIFPNG
34 3UM5_CP6709B-0.3093 1.40 60 0.74 143 111 CP6-709-B-- PF00303 A7UD81 BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE pmlGIFPNG
35 4OK1_1981001A-0.3090 1.39 72 1.56 143 162 198-1001-A-- PF00104 P10275 ANDROGEN RECEPTOR pmlGIFPNG
36 2WGJ_VGH2346A-0.3084 1.38 70 1.43 143 154 VGH-2346-A-- PF07714 P08581 HEPATOCYTE GROWTH FACTOR RECEPTOR pmlGIFPNG
37 1SA1_POD700B-0.3065 1.36 61 0.81 143 117 POD-700-B-- PF03953 Q6B856 Q2HJ86 TUBULIN ALPHA CHAIN pmlGIFPNG
38 3ERD_DES600A-0.3054 1.34 62 0.88 143 122 DES-600-A-- PF12743 P03372 PROTEIN (ESTROGEN RECEPTOR ALPHA) pmlGIFPNG
39 4OTY_LUR705A-0.3015 1.28 60 0.74 143 116 LUR-705-A-- PF03098 Q05769 PROSTAGLANDIN G/H SYNTHASE 2 pmlGIFPNG
40 2OZ7_CA41A-0.3014 1.28 66 1.15 143 142 CA4-1-A-- PF00104 P10275 ANDROGEN RECEPTOR pmlGIFPNG
41 3G0F_B499001A-0.3010 1.27 62 0.88 143 125 B49-9001-A-- PF07714 P10721 MAST/STEM CELL GROWTH FACTOR RECEPTOR pmlGIFPNG
42 2AA5_STR301A-0.3000 1.26 60 0.74 143 117 STR-301-A-- PF00104 P08235 MINERALOCORTICOID RECEPTOR pmlGIFPNG
43 1HZE_RBF99B-0.2995 1.25 59 0.67 143 113 RBF-99-B-- PF00677 P0AFU8 RIBOFLAVIN SYNTHASE ALPHA CHAIN pmlGIFPNG
44 4LU3_AZM302A-0.2979 1.23 56 0.47 143 101 AZM-302-A-- PF00194 Q9ULX7 CARBONIC ANHYDRASE 14 pmlGIFPNG
45 1AJ6_NOV1A-0.2965 1.20 67 1.22 143 150 NOV-1-A-- PF02518 P0AES6 GYRASE pmlGIFPNG
46 4LNW_T3501A-0.2939 1.17 67 1.22 143 152 T3-501-A-- PF00104 P10827 THYROID HORMONE RECEPTOR ALPHA pmlGIFPNG
47 3LXE_TOR262A-0.2937 1.16 74 1.70 143 183 TOR-262-A-- PF00194 P00915 CARBONIC ANHYDRASE 1 pmlGIFPNG
48 3H0A_9RA500A-0.2937 1.16 74 1.70 143 183 9RA-500-A-- PF00104 P19793 RETINOIC ACID RECEPTOR RXR-ALPHA pmlGIFPNG
49 1QYX_ASD500A-0.2936 1.16 64 1.01 143 139 ASD-500-A-- PF00106 P14061 ESTRADIOL 17 BETA-DEHYDROGENASE 1 pmlGIFPNG
50 3VHU_SNL1001A-0.2933 1.16 61 0.81 143 126 SNL-1001-A-- PF00104 P08235 MINERALOCORTICOID RECEPTOR pmlGIFPNG
51 4HJO_AQ41001A-0.2933 1.16 66 1.15 143 148 AQ4-1001-A-- PF07714 P00533 EPIDERMAL GROWTH FACTOR RECEPTOR pmlGIFPNG
52 1UDU_CIA1003A-0.2930 1.15 63 0.95 143 135 CIA-1003-A-- PF00233 O76074 CGMP-SPECIFIC 3' -5'-CYCLIC PHOSPHODIESTERASE pmlGIFPNG
53 4PYL_TCW303A-0.2928 1.15 53 0.26 143 91 TCW-303-A-- PF01596 P22734 CATECHOL O-METHYLTRANSFERASE pmlGIFPNG
54 3PGH_FLP701C-0.2910 1.12 55 0.40 143 101 FLP-701-C-- PF03098 Q05769 CYCLOOXYGENASE-2 pmlGIFPNG
55 3D4S_TIM401A-0.2905 1.11 61 0.81 143 128 TIM-401-A-- PF00001 P07550 BETA-2 ADRENERGIC RECEPTOR/T4-LYSOZYME CHIMERA pmlGIFPNG
56 1Z95_198501A-0.2902 1.11 65 1.08 143 146 198-501-A-- PF00104 P10275 ANDROGEN RECEPTOR pmlGIFPNG
57 3HM1_J3Z2A-0.2900 1.11 58 0.60 143 115 J3Z-2-A-- PF00104 P03372 ESTROGEN RECEPTOR pmlGIFPNG
58 1IHI_IU5327B-0.2900 1.11 67 1.22 143 155 IU5-327-B-- PF00248 P52895 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE pmlGIFPNG
59 1TBF_VIA501A-0.2874 1.07 71 1.49 143 175 VIA-501-A-- PF00233 O76074 CGMP-SPECIFIC 3' -5'-CYCLIC PHOSPHODIESTERASE pmlGIFPNG
60 3HKU_TOR300A-0.2870 1.06 62 0.88 143 135 TOR-300-A-- PF00194 P00918 CARBONIC ANHYDRASE 2 pmlGIFPNG
61 3Q95_ESL700B-0.2857 1.04 64 1.01 143 145 ESL-700-B-- PF12743 P03372 ESTROGEN RECEPTOR pmlGIFPNG
62 3UT5_LOC502B-0.2857 1.04 54 0.33 143 100 LOC-502-B-- PF03953 D0VWZ0 D0VWY9 TUBULIN ALPHA CHAIN pmlGIFPNG
63 1W0G_MYT1499A-0.2849 1.03 49 -0.01 143 78 MYT-1499-A-- PF00067 P08684 CYTOCHROME P450 3A4 pmlGIFPNG
64 3TZF_08D280B-0.2842 1.02 52 0.19 143 92 08D-280-B-- - - 7 -8-DIHYDROPTEROATE SYNTHASE pmlGIFPNG
65 2Y6O_1N11892A-0.2839 1.01 67 1.22 143 160 1N1-1892-A-- PF14575 Q03137 EPHRIN TYPE-A RECEPTOR 4 pmlGIFPNG
66 4M2V_BZ1302A-0.2837 1.01 61 0.81 143 133 BZ1-302-A-- PF00194 P00918 CARBONIC ANHYDRASE 2 pmlGIFPNG
67 4K13_ETS304A-0.2837 1.01 59 0.67 143 124 ETS-304-A-- PF00194 P00918 CARBONIC ANHYDRASE 2 pmlGIFPNG
68 1QKN_RAL600A-0.2833 1.00 68 1.29 143 165 RAL-600-A-- PF00104 Q62986 ESTROGEN RECEPTOR BETA pmlGIFPNG
69 2F16_BO21402K-0.2830 1.00 60 0.74 143 129 BO2-1402-K-- PF00227 P30656 P23724 PROTEASOME COMPONENT Y7 pmlGIFPNG
70 3D90_NOG2001B-0.2825 0.99 63 0.95 143 143 NOG-2001-B-- PF00104 P06401 PROGESTERONE RECEPTOR pmlGIFPNG
71 1BSX_T31A-0.2815 0.98 67 1.22 143 162 T3-1-A-- PF00104 P10828 PROTEIN (THYROID HORMONE RECEPTOR BETA) pmlGIFPNG
72 1CIL_ETS263A-0.2814 0.98 56 0.47 143 112 ETS-263-A-- PF00194 P00918 CARBONIC ANHYDRASE II pmlGIFPNG
73 1XZX_T3500X-0.2812 0.97 63 0.95 143 144 T3-500-X-- PF00104 P10828 THYROID HORMONE RECEPTOR BETA-1 pmlGIFPNG
74 2ZVA_1N1513A-0.2807 0.97 64 1.01 143 149 1N1-513-A-- PF07714 P25911 TYROSINE-PROTEIN KINASE LYN pmlGIFPNG
75 4LTW_STR301A-0.2805 0.96 62 0.88 143 140 STR-301-A-- - - ANCESTRAL STEROID RECEPTOR 2 pmlGIFPNG
76 3QLG_1N1601AA0.2804 0.96 60 0.74 143 131 1N1-601-A-A PF07714 P00523 PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC pmlGIFPNG
77 3N8Y_SAL900BA0.2803 0.96 44 -0.36 143 58 SAL-900-B-A PF03098 P05979 PROSTAGLANDIN G/H SYNTHASE 1 pmlGIFPNG
78 3OAP_REA500A-0.2802 0.96 65 1.08 143 154 REA-500-A-- PF00104 P19793 RETINOIC ACID RECEPTOR RXR-ALPHA pmlGIFPNG
79 3UUD_EST600B-0.2794 0.95 57 0.54 143 118 EST-600-B-- PF12743 P03372 ESTROGEN RECEPTOR pmlGIFPNG
80 3C0Z_SHH301B-0.2778 0.92 55 0.40 143 110 SHH-301-B-- PF00850 Q8WUI4 HISTONE DEACETYLASE 7A pmlGIFPNG
81 1YA3_STR3001C-0.2775 0.92 58 0.60 143 124 STR-3001-C-- PF00104 P08235 MINERALOCORTICOID RECEPTOR pmlGIFPNG
82 3N8Y_DIF585BB0.2772 0.91 51 0.12 143 92 DIF-585-B-B PF03098 P05979 PROSTAGLANDIN G/H SYNTHASE 1 pmlGIFPNG
83 3MNE_DEX784A-0.2765 0.90 60 0.74 143 134 DEX-784-A-- PF00104 P06537 GLUCOCORTICOID RECEPTOR pmlGIFPNG
84 4LNX_T3502A-0.2751 0.88 63 0.95 143 149 T3-502-A-- PF00104 P10827 THYROID HORMONE RECEPTOR ALPHA pmlGIFPNG
85 1PTH_SAL711B-0.2750 0.88 44 -0.36 143 61 SAL-711-B-- PF03098 P05979 PROSTAGLANDIN H2 SYNTHASE-1 pmlGIFPNG
86 4J24_EST600C-0.2736 0.86 58 0.60 143 127 EST-600-C-- PF00104 Q92731 ESTROGEN RECEPTOR BETA pmlGIFPNG
87 1AZM_AZM262A-0.2732 0.85 53 0.26 143 104 AZM-262-A-- PF00194 P00915 CARBONIC ANHYDRASE I pmlGIFPNG
88 4M2R_BZ1302A-0.2727 0.84 60 0.74 143 137 BZ1-302-A-- PF00194 P00918 CARBONIC ANHYDRASE 2 pmlGIFPNG
89 3NT1_NPS4B-0.2727 0.84 48 -0.08 143 81 NPS-4-B-- PF03098 Q05769 PROSTAGLANDIN-ENDOPEROXIDE SYNTHASE 2 pmlGIFPNG
90 3GWX_EPA3BA0.2720 0.83 68 1.29 143 175 EPA-3-B-A PF00104 Q03181 PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED pmlGIFPNG
91 1U72_MTX188A-0.2716 0.83 66 1.15 143 166 MTX-188-A-- PF00186 P00374 DIHYDROFOLATE REDUCTASE pmlGIFPNG
92 4MM6_29E603A-0.2714 0.82 54 0.33 143 110 29E-603-A-- PF00209 O67854 TRANSPORTER pmlGIFPNG
93 3K2H_LYA513A-0.2713 0.82 67 1.22 143 171 LYA-513-A-- PF00303 A7ASX7 DIHYDROFOLATE REDUCTASE/THYMIDYLATE SYNTHASE pmlGIFPNG
94 1HW8_1142A-0.2708 0.82 65 1.08 143 162 114-2-A-- PF00368 P04035 HMG-COA REDUCTASE pmlGIFPNG
95 1ERR_RAL600A-0.2707 0.81 72 1.56 143 195 RAL-600-A-- PF12743 P03372 ESTROGEN RECEPTOR pmlGIFPNG
96 1YDB_AZM264A-0.2703 0.81 50 0.06 143 92 AZM-264-A-- PF00194 P00918 CARBONIC ANHYDRASE II pmlGIFPNG
97 3ZBF_VGH3000A-0.2696 0.80 62 0.88 143 149 VGH-3000-A-- PF07714 P08922 PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS pmlGIFPNG
98 1K74_9CR463A-0.2686 0.78 65 1.08 143 164 9CR-463-A-- PF00104 P19793 RETINOIC ACID RECEPTOR RXR-ALPHA pmlGIFPNG
99 4OJB_1981001A-0.2678 0.77 64 1.01 143 160 198-1001-A-- PF00104 P10275 ANDROGEN RECEPTOR pmlGIFPNG
100 1M2Z_DEX301A-0.2670 0.76 59 0.67 143 137 DEX-301-A-- PF00104 P04150 GLUCOCORTICOID RECEPTOR pmlGIFPNG