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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00499487

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2IH1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE)A,D,G,J,M,Q2IWE0.76
IMDIMIDAZOLEA,B,C3H870.81
IMDIMIDAZOLEA1SQM0.81
IMDIMIDAZOLEA,B3CC10.81
IMDIMIDAZOLEA1AES0.81
IMDIMIDAZOLEA,B2HBA0.81
IMDIMIDAZOLEA,B3FVB0.81
IMDIMIDAZOLEA,B,C,D2QLE0.81
IMDIMIDAZOLEA2OD50.81
IMDIMIDAZOLEA,B2R4J0.81
IMDIMIDAZOLEA,B,C3FY40.81
IMDIMIDAZOLEA,B,C,D1I120.81
IMDIMIDAZOLEA1RUW0.81
IMDIMIDAZOLEA,B3GFF0.81
IMDIMIDAZOLEA,B,C,D1OUW0.81
IMDIMIDAZOLEA1PEE0.81
IMDIMIDAZOLEA,B2DDF0.81
IMDIMIDAZOLEX2AT30.81
IMDIMIDAZOLEA,B1R8E0.81
IMDIMIDAZOLEB,C,E,F1NU90.81
IMDIMIDAZOLEA,B3ECG0.81
IMDIMIDAZOLEA,B2R4E0.81
IMDIMIDAZOLEA1QPI0.81
IMDIMIDAZOLEA,B1HX30.81
IMDIMIDAZOLEA,B,C,D2Z3T0.81
IMDIMIDAZOLEA1L5N0.81
IMDIMIDAZOLEA,B2E2E0.81
IMDIMIDAZOLEA,C,H3F0Y0.81
IMDIMIDAZOLEA,B3D850.81
IMDIMIDAZOLEA1OD80.81
IMDIMIDAZOLET1Y590.81
IMDIMIDAZOLEX3B7U0.81
IMDIMIDAZOLEA1T8K0.81
IMDIMIDAZOLEA3C1J0.81
IMDIMIDAZOLEA2H7Q0.81
IMDIMIDAZOLEA,B1K6Z0.81
IMDIMIDAZOLEA,B,C,D,E,F,G1PZN0.81
IMDIMIDAZOLEA3EER0.81
IMDIMIDAZOLEA1DSO0.81
IMDIMIDAZOLEL1MRD0.81
IMDIMIDAZOLEA,B3EC00.81
IMDIMIDAZOLEA,B2W8X0.81
IMDIMIDAZOLEA1MUN0.81
IMDIMIDAZOLEA,B3C8L0.81
IMDIMIDAZOLEA1YXS0.81
IMDIMIDAZOLEA2NPJ0.81
IMDIMIDAZOLEL1MRC0.81
IMDIMIDAZOLEA2R5R0.81
IMDIMIDAZOLEA1IRC0.81
IMDIMIDAZOLEA2OBL0.81
IMDIMIDAZOLEA,B,C,D3C4E0.81
IMDIMIDAZOLEA3CHR0.81
IMDIMIDAZOLEA,B2ZQN0.81
IMDIMIDAZOLEX1PM10.81
IMDIMIDAZOLEA1V0M0.81
IMDIMIDAZOLEA2NPK0.81
IMDIMIDAZOLEO2G8C0.81
IMDIMIDAZOLEA2WCR0.81
IMDIMIDAZOLEA1CXA0.81
IMDIMIDAZOLEA,B,D1I1D0.81
IMDIMIDAZOLEA3D700.81
IMDIMIDAZOLEA3B7T0.81
IMDIMIDAZOLEA1MBI0.81
IMDIMIDAZOLEA,B,C,D3FCS0.81
IMDIMIDAZOLEA,B,C,D2ZC00.81
IMDIMIDAZOLEA1RKY0.81
IMDIMIDAZOLEA1V2G0.81
IMDIMIDAZOLEA,B,C,D3E490.81
IMDIMIDAZOLEA,B,C,D3HX80.81
IMDIMIDAZOLEA3CGX0.81
IMDIMIDAZOLEL3B7R0.81
IMDIMIDAZOLEA,B,C3DKQ0.81
IMDIMIDAZOLEA2DKK0.81
IMDIMIDAZOLEA,B,C,D1YXU0.81
IMDIMIDAZOLEH,J,L,N1OAU0.81
IMDIMIDAZOLEA2HVF0.81
IMDIMIDAZOLEA,B2V080.81
IMDIMIDAZOLEB,C,D1N1I0.81
IMDIMIDAZOLEA2PSD0.81
IMDIMIDAZOLEA1SXU0.81
IMDIMIDAZOLEA,B,C,D2GPE0.81
IMDIMIDAZOLEA1W7C0.81
IMDIMIDAZOLEA1NOC0.81
IMDIMIDAZOLEA,B3BR00.81
IMDIMIDAZOLEA3C1H0.81
IMDIMIDAZOLEA,B2OWQ0.81
IMDIMIDAZOLEA1HS60.81
IMDIMIDAZOLEA,B2HRC0.81
IMDIMIDAZOLEA3CHQ0.81
IMDIMIDAZOLEA1YXX0.81
IMDIMIDAZOLEA,B,C,D2RD90.81
IMDIMIDAZOLEA2UGI0.81
IMDIMIDAZOLEL1MRE0.81
IMDIMIDAZOLEC,D,G,H1NU70.81
IMDIMIDAZOLEA,B3C2Q0.81
IMDIMIDAZOLEA,B,C,D2G5F0.81
IMDIMIDAZOLEA1UUX0.81
IMDIMIDAZOLEA,B2VD30.81
IMDIMIDAZOLEA1UUY0.81
IMDIMIDAZOLEA4MBA0.81
IMDIMIDAZOLEA3HMZ0.81
IMDIMIDAZOLEA,C1HEZ0.81
IMDIMIDAZOLEA2NQC0.81
IMDIMIDAZOLEA3AKY0.81
IMDIMIDAZOLEA2OPC0.81
IMDIMIDAZOLEA3CHS0.81
IMDIMIDAZOLEA1WEG0.81
IMDIMIDAZOLEA3E2T0.81
IMDIMIDAZOLEA,C3G5O0.81
IMDIMIDAZOLEA2VZ50.81
IMDIMIDAZOLEA1H190.81
IMDIMIDAZOLEA1W8K0.81
IMDIMIDAZOLEA1DP90.81
IMDIMIDAZOLEA3CHP0.81
IMDIMIDAZOLEA,B2E180.81
IMDIMIDAZOLEA2O3P0.81
IMDIMIDAZOLEA2OH30.81
IMDIMIDAZOLEA3DEE0.81
IMDIMIDAZOLEA1DSP0.81
IMDIMIDAZOLET1Y5B0.81
IMDIMIDAZOLEL1MRF0.81
IMDIMIDAZOLEA2NOS0.81
IMDIMIDAZOLEA2NUH0.81
IMDIMIDAZOLEA2NOP0.81
IMDIMIDAZOLEA2PSE0.81
IMDIMIDAZOLEA1NMI0.81
IMDIMIDAZOLEA1DSG0.81
IMDIMIDAZOLEA,B,C,D1VDD0.81
IMDIMIDAZOLEA,B,C,D3EJ80.81
IMDIMIDAZOLEA,B2I6O0.81
IMDIMIDAZOLEA,B2VNQ0.81
IMDIMIDAZOLEA,B2GO30.81
IMDIMIDAZOLEA3GGD0.81
IMDIMIDAZOLEA1IKJ0.81
IMDIMIDAZOLEA2A0I0.81
IMDIMIDAZOLEA,B,C,D2QD10.81
IMDIMIDAZOLEA,B2R460.81
IMDIMIDAZOLEA1AKY0.81
IMDIMIDAZOLEA2VYO0.81
IMDIMIDAZOLEA,B1U170.81
IMDIMIDAZOLEA2C4W0.81
IMDIMIDAZOLEX2F5T0.81
IMDIMIDAZOLEA1GW60.81
IMDIMIDAZOLEA,B2R450.81
IMDIMIDAZOLEA1JRL0.81
IMDIMIDAZOLEA3D710.81
IMDIMIDAZOLEA,B2QD20.81
IMDIMIDAZOLEA2NPC0.81
IMDIMIDAZOLEA,B2QCU0.81
IMDIMIDAZOLEA,B2QZC0.81
IMDIMIDAZOLEA1NOS0.81
IMDIMIDAZOLEA,B,C,D1WWJ0.81
IMDIMIDAZOLEA2VJ80.81
IMDIMIDAZOLEA1W810.81
IMDIMIDAZOLEA,B2AH80.81
IMDIMIDAZOLET1Y5U0.81
IMDIMIDAZOLEA,B,C,D,E,F,
G,H,I,J,K,L
3E6Q0.81
IMDIMIDAZOLEA,B1KAE0.81
IMDIMIDAZOLEA1YWV0.81
IMDIMIDAZOLEA,B3EBZ0.81
IMDIMIDAZOLEA2NPD0.81
IMDIMIDAZOLEA1V0N0.81
IMDIMIDAZOLEA,B3VHB0.81
IMDIMIDAZOLEA1YXV0.81
IMDIMIDAZOLEX2ASN0.81
IMDIMIDAZOLEA,B2D6C0.81
IMDIMIDAZOLEA,B1WKQ0.81
IMDIMIDAZOLEA,B,C,D1GZ50.81
IMDIMIDAZOLEA,B,C1Y5E0.81
IMDIMIDAZOLEA2O630.81
IMDIMIDAZOLEA1DSE0.81
IMDIMIDAZOLEA,B3BQZ0.81
IMDIMIDAZOLEA,B,C,D,E,F2OGJ0.81
IMDIMIDAZOLEA1CCG0.81
IMDIMIDAZOLEA1DS40.81
IMDIMIDAZOLEA1U7R0.81
IMDIMIDAZOLEA1FI90.81
IMDIMIDAZOLEA,B3HDJ0.81
IMDIMIDAZOLEA,B1F4U0.81
IMDIMIDAZOLEA,B1L9E0.81
IMDIMIDAZOLEA1MUY0.81
IMDIMIDAZOLEA1FI70.81
IMDIMIDAZOLEA,B,C,D,E,F,
G,H
1UGI0.81
IMDIMIDAZOLEA,B,C,D2FMY0.81
IMDIMIDAZOLEA2O650.81
IMDIMIDAZOLEA,B2ZEG0.81
IMDIMIDAZOLEA2O640.81
IMDIMIDAZOLEA,B2ZQO0.81
IMDIMIDAZOLET1Y5A0.81
IMDIMIDAZOLEA2ZBX0.81
2EZ2-ETHYLIMIDAZOLEA1AEQ0.85
BVG1H-IMIDAZOL-2-YLMETHANOLA2EUU0.72
2MZ2-METHYLIMIDAZOLEA1AEU0.82
DMI2,3-DIMETHYLIMIDAZOLIUM IONA1CMP0.86
DMI2,3-DIMETHYLIMIDAZOLIUM IONA1CCI0.86
4MZ4-METHYLIMIDAZOLEA1DTM0.75
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.75
4MZ4-METHYLIMIDAZOLEA2FNN0.75
4MZ4-METHYLIMIDAZOLEA1MOO0.75
4MZ4-METHYLIMIDAZOLEA1G0E0.75
1MZ1-METHYLIMIDAZOLEA1AET0.85
1MZ1-METHYLIMIDAZOLEA1LSX0.85
1MZ1-METHYLIMIDAZOLEA1DUO0.85
1MZ1-METHYLIMIDAZOLEA2H7R0.85
NVI1-VINYLIMIDAZOLEA,B2AFZ0.84
NVI1-VINYLIMIDAZOLEA1AEJ0.84
HSMHISTAMINEA,B1U180.72
HSMHISTAMINEA1AVN0.72
HSMHISTAMINEA,B1KAR0.72
HSMHISTAMINEA,B1NP10.72
HSMHISTAMINEA,B1JQD0.72
HSMHISTAMINEA,B2QEB0.72
HSMHISTAMINEA,B1QFV0.72
HSMHISTAMINEA1IKE0.72
HSMHISTAMINEA3BU10.72
HSMHISTAMINEA,B1QFT0.72