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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004553

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
301N6-(penta-2,3-dienyl)adenineA3BW70.7
NVI1-VINYLIMIDAZOLEA,B2AFZ0.76
NVI1-VINYLIMIDAZOLEA1AEJ0.76
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.72
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.72
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.78
DMI2,3-DIMETHYLIMIDAZOLIUM IONA1CMP0.82
DMI2,3-DIMETHYLIMIDAZOLIUM IONA1CCI0.82
4MZ4-METHYLIMIDAZOLEA1DTM0.94
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.94
4MZ4-METHYLIMIDAZOLEA2FNN0.94
4MZ4-METHYLIMIDAZOLEA1MOO0.94
4MZ4-METHYLIMIDAZOLEA1G0E0.94
2EZ2-ETHYLIMIDAZOLEA1AEQ0.87
HIAL-HISTIDINE AMIDEB1URL0.74
2801-methyl-1H-imidazole-5-carbaldehydeX2RBY0.7
1MZ1-METHYLIMIDAZOLEA1AET0.77
1MZ1-METHYLIMIDAZOLEA1LSX0.77
1MZ1-METHYLIMIDAZOLEA1DUO0.77
1MZ1-METHYLIMIDAZOLEA2H7R0.77
HSMHISTAMINEA,B1U180.89
HSMHISTAMINEA1AVN0.89
HSMHISTAMINEA,B1KAR0.89
HSMHISTAMINEA,B1NP10.89
HSMHISTAMINEA,B1JQD0.89
HSMHISTAMINEA,B2QEB0.89
HSMHISTAMINEA,B1QFV0.89
HSMHISTAMINEA1IKE0.89
HSMHISTAMINEA3BU10.89
HSMHISTAMINEA,B1QFT0.89
2BP9H-purin-2-amineA3G4M0.77
2MZ2-METHYLIMIDAZOLEA1AEU0.82
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.84
HSOHISTIDINOLA,B1H3J0.74
HSOHISTIDINOLA,B,C,D1KMN0.74
HSOHISTIDINOLA,B2FPU0.74
HSOHISTIDINOLA,B1KAE0.74
HSOHISTIDINOLN2BKD0.74
IMDIMIDAZOLEA,B,C3H870.77
IMDIMIDAZOLEA1SQM0.77
IMDIMIDAZOLEA,B3CC10.77
IMDIMIDAZOLEA1AES0.77
IMDIMIDAZOLEA,B2HBA0.77
IMDIMIDAZOLEA,B3FVB0.77
IMDIMIDAZOLEA,B,C,D2QLE0.77
IMDIMIDAZOLEA2OD50.77
IMDIMIDAZOLEA,B2R4J0.77
IMDIMIDAZOLEA,B,C3FY40.77
IMDIMIDAZOLEA,B,C,D1I120.77
IMDIMIDAZOLEA1RUW0.77
IMDIMIDAZOLEA,B3GFF0.77
IMDIMIDAZOLEA,B,C,D1OUW0.77
IMDIMIDAZOLEA1PEE0.77
IMDIMIDAZOLEA,B2DDF0.77
IMDIMIDAZOLEX2AT30.77
IMDIMIDAZOLEA,B1R8E0.77
IMDIMIDAZOLEB,C,E,F1NU90.77
IMDIMIDAZOLEA,B3ECG0.77
IMDIMIDAZOLEA,B2R4E0.77
IMDIMIDAZOLEA1QPI0.77
IMDIMIDAZOLEA,B1HX30.77
IMDIMIDAZOLEA,B,C,D2Z3T0.77
IMDIMIDAZOLEA1L5N0.77
IMDIMIDAZOLEA,B2E2E0.77
IMDIMIDAZOLEA,C,H3F0Y0.77
IMDIMIDAZOLEA,B3D850.77
IMDIMIDAZOLEA1OD80.77
IMDIMIDAZOLET1Y590.77
IMDIMIDAZOLEX3B7U0.77
IMDIMIDAZOLEA1T8K0.77
IMDIMIDAZOLEA3C1J0.77
IMDIMIDAZOLEA2H7Q0.77
IMDIMIDAZOLEA,B1K6Z0.77
IMDIMIDAZOLEA,B,C,D,E,F,G1PZN0.77
IMDIMIDAZOLEA3EER0.77
IMDIMIDAZOLEA1DSO0.77
IMDIMIDAZOLEL1MRD0.77
IMDIMIDAZOLEA,B3EC00.77
IMDIMIDAZOLEA,B2W8X0.77
IMDIMIDAZOLEA1MUN0.77
IMDIMIDAZOLEA,B3C8L0.77
IMDIMIDAZOLEA1YXS0.77
IMDIMIDAZOLEA2NPJ0.77
IMDIMIDAZOLEL1MRC0.77
IMDIMIDAZOLEA2R5R0.77
IMDIMIDAZOLEA1IRC0.77
IMDIMIDAZOLEA2OBL0.77
IMDIMIDAZOLEA,B,C,D3C4E0.77
IMDIMIDAZOLEA3CHR0.77
IMDIMIDAZOLEA,B2ZQN0.77
IMDIMIDAZOLEX1PM10.77
IMDIMIDAZOLEA1V0M0.77
IMDIMIDAZOLEA2NPK0.77
IMDIMIDAZOLEO2G8C0.77
IMDIMIDAZOLEA2WCR0.77
IMDIMIDAZOLEA1CXA0.77
IMDIMIDAZOLEA,B,D1I1D0.77
IMDIMIDAZOLEA3D700.77
IMDIMIDAZOLEA3B7T0.77
IMDIMIDAZOLEA1MBI0.77
IMDIMIDAZOLEA,B,C,D3FCS0.77
IMDIMIDAZOLEA,B,C,D2ZC00.77
IMDIMIDAZOLEA1RKY0.77
IMDIMIDAZOLEA1V2G0.77
IMDIMIDAZOLEA,B,C,D3E490.77
IMDIMIDAZOLEA,B,C,D3HX80.77
IMDIMIDAZOLEA3CGX0.77
IMDIMIDAZOLEL3B7R0.77
IMDIMIDAZOLEA,B,C3DKQ0.77
IMDIMIDAZOLEA2DKK0.77
IMDIMIDAZOLEA,B,C,D1YXU0.77
IMDIMIDAZOLEH,J,L,N1OAU0.77
IMDIMIDAZOLEA2HVF0.77
IMDIMIDAZOLEA,B2V080.77
IMDIMIDAZOLEB,C,D1N1I0.77
IMDIMIDAZOLEA2PSD0.77
IMDIMIDAZOLEA1SXU0.77
IMDIMIDAZOLEA,B,C,D2GPE0.77
IMDIMIDAZOLEA1W7C0.77
IMDIMIDAZOLEA1NOC0.77
IMDIMIDAZOLEA,B3BR00.77
IMDIMIDAZOLEA3C1H0.77
IMDIMIDAZOLEA,B2OWQ0.77
IMDIMIDAZOLEA1HS60.77
IMDIMIDAZOLEA,B2HRC0.77
IMDIMIDAZOLEA3CHQ0.77
IMDIMIDAZOLEA1YXX0.77
IMDIMIDAZOLEA,B,C,D2RD90.77
IMDIMIDAZOLEA2UGI0.77
IMDIMIDAZOLEL1MRE0.77
IMDIMIDAZOLEC,D,G,H1NU70.77
IMDIMIDAZOLEA,B3C2Q0.77
IMDIMIDAZOLEA,B,C,D2G5F0.77
IMDIMIDAZOLEA1UUX0.77
IMDIMIDAZOLEA,B2VD30.77
IMDIMIDAZOLEA1UUY0.77
IMDIMIDAZOLEA4MBA0.77
IMDIMIDAZOLEA3HMZ0.77
IMDIMIDAZOLEA,C1HEZ0.77
IMDIMIDAZOLEA2NQC0.77
IMDIMIDAZOLEA3AKY0.77
IMDIMIDAZOLEA2OPC0.77
IMDIMIDAZOLEA3CHS0.77
IMDIMIDAZOLEA1WEG0.77
IMDIMIDAZOLEA3E2T0.77
IMDIMIDAZOLEA,C3G5O0.77
IMDIMIDAZOLEA2VZ50.77
IMDIMIDAZOLEA1H190.77
IMDIMIDAZOLEA1W8K0.77
IMDIMIDAZOLEA1DP90.77
IMDIMIDAZOLEA3CHP0.77
IMDIMIDAZOLEA,B2E180.77
IMDIMIDAZOLEA2O3P0.77
IMDIMIDAZOLEA2OH30.77
IMDIMIDAZOLEA3DEE0.77
IMDIMIDAZOLEA1DSP0.77
IMDIMIDAZOLET1Y5B0.77
IMDIMIDAZOLEL1MRF0.77
IMDIMIDAZOLEA2NOS0.77
IMDIMIDAZOLEA2NUH0.77
IMDIMIDAZOLEA2NOP0.77
IMDIMIDAZOLEA2PSE0.77
IMDIMIDAZOLEA1NMI0.77
IMDIMIDAZOLEA1DSG0.77
IMDIMIDAZOLEA,B,C,D1VDD0.77
IMDIMIDAZOLEA,B,C,D3EJ80.77
IMDIMIDAZOLEA,B2I6O0.77
IMDIMIDAZOLEA,B2VNQ0.77
IMDIMIDAZOLEA,B2GO30.77
IMDIMIDAZOLEA3GGD0.77
IMDIMIDAZOLEA1IKJ0.77
IMDIMIDAZOLEA2A0I0.77
IMDIMIDAZOLEA,B,C,D2QD10.77
IMDIMIDAZOLEA,B2R460.77
IMDIMIDAZOLEA1AKY0.77
IMDIMIDAZOLEA2VYO0.77
IMDIMIDAZOLEA,B1U170.77
IMDIMIDAZOLEA2C4W0.77
IMDIMIDAZOLEX2F5T0.77
IMDIMIDAZOLEA1GW60.77
IMDIMIDAZOLEA,B2R450.77
IMDIMIDAZOLEA1JRL0.77
IMDIMIDAZOLEA3D710.77
IMDIMIDAZOLEA,B2QD20.77
IMDIMIDAZOLEA2NPC0.77
IMDIMIDAZOLEA,B2QCU0.77
IMDIMIDAZOLEA,B2QZC0.77
IMDIMIDAZOLEA1NOS0.77
IMDIMIDAZOLEA,B,C,D1WWJ0.77
IMDIMIDAZOLEA2VJ80.77
IMDIMIDAZOLEA1W810.77
IMDIMIDAZOLEA,B2AH80.77
IMDIMIDAZOLET1Y5U0.77
IMDIMIDAZOLEA,B,C,D,E,F,
G,H,I,J,K,L
3E6Q0.77
IMDIMIDAZOLEA,B1KAE0.77
IMDIMIDAZOLEA1YWV0.77
IMDIMIDAZOLEA,B3EBZ0.77
IMDIMIDAZOLEA2NPD0.77
IMDIMIDAZOLEA1V0N0.77
IMDIMIDAZOLEA,B3VHB0.77
IMDIMIDAZOLEA1YXV0.77
IMDIMIDAZOLEX2ASN0.77
IMDIMIDAZOLEA,B2D6C0.77
IMDIMIDAZOLEA,B1WKQ0.77
IMDIMIDAZOLEA,B,C,D1GZ50.77
IMDIMIDAZOLEA,B,C1Y5E0.77
IMDIMIDAZOLEA2O630.77
IMDIMIDAZOLEA1DSE0.77
IMDIMIDAZOLEA,B3BQZ0.77
IMDIMIDAZOLEA,B,C,D,E,F2OGJ0.77
IMDIMIDAZOLEA1CCG0.77
IMDIMIDAZOLEA1DS40.77
IMDIMIDAZOLEA1U7R0.77
IMDIMIDAZOLEA1FI90.77
IMDIMIDAZOLEA,B3HDJ0.77
IMDIMIDAZOLEA,B1F4U0.77
IMDIMIDAZOLEA,B1L9E0.77
IMDIMIDAZOLEA1MUY0.77
IMDIMIDAZOLEA1FI70.77
IMDIMIDAZOLEA,B,C,D,E,F,
G,H
1UGI0.77
IMDIMIDAZOLEA,B,C,D2FMY0.77
IMDIMIDAZOLEA2O650.77
IMDIMIDAZOLEA,B2ZEG0.77
IMDIMIDAZOLEA2O640.77
IMDIMIDAZOLEA,B2ZQO0.77
IMDIMIDAZOLET1Y5A0.77
IMDIMIDAZOLEA2ZBX0.77
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.71
BVG1H-IMIDAZOL-2-YLMETHANOLA2EUU0.73
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.71