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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004895

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
BENBENZAMIDINEA2TIO0.78
BENBENZAMIDINEA1J150.78
BENBENZAMIDINEA,B3BEU0.78
BENBENZAMIDINET1V2U0.78
BENBENZAMIDINEA,B,C,D,E,F3CF80.78
BENBENZAMIDINEA1S0R0.78
BENBENZAMIDINEA,B1V160.78
BENBENZAMIDINEA1CC70.78
BENBENZAMIDINEA3BG80.78
BENBENZAMIDINEA1CC80.78
BENBENZAMIDINEA3PTB0.78
BENBENZAMIDINEA,B1TRM0.78
BENBENZAMIDINEA1ZHR0.78
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.78
BENBENZAMIDINEA2BLV0.78
BENBENZAMIDINEA,B,C,D,E,F2GLP0.78
BENBENZAMIDINEH,I3D490.78
BENBENZAMIDINEH,L,T2AER0.78
BENBENZAMIDINEA1J140.78
BENBENZAMIDINEA1NSA0.78
BENBENZAMIDINEA2AYW0.78
BENBENZAMIDINEA1BRA0.78
BENBENZAMIDINEA,B,C,D1A0J0.78
BENBENZAMIDINEB,C,D2AST0.78
BENBENZAMIDINEA,B2CKR0.78
BENBENZAMIDINEA1LPU0.78
BENBENZAMIDINEA1ZHM0.78
BENBENZAMIDINEA1J8A0.78
BENBENZAMIDINEA,B3BCX0.78
BENBENZAMIDINEA,B,C,D,E,F3CF90.78
BENBENZAMIDINEA,B,C,D,E,F3D040.78
BENBENZAMIDINEA,B,C,D,E,F2GLL0.78
BENBENZAMIDINEA1AND0.78
BENBENZAMIDINEA2TBS0.78
BENBENZAMIDINEA,B,C,D,E,F3DP20.78
BENBENZAMIDINET1V2M0.78
BENBENZAMIDINEA2EEK0.78
BENBENZAMIDINEH,I2ZI20.78
BENBENZAMIDINET1V2J0.78
BENBENZAMIDINEH1KLI0.78
BENBENZAMIDINEA1CE50.78
BENBENZAMIDINEA,B,C,D,E,F3B7J0.78
BENBENZAMIDINEB,Y2PKA0.78
BENBENZAMIDINEA2VJ00.78
BENBENZAMIDINEA3B3J0.78
BENBENZAMIDINEA,B,C,D,E,F3DOY0.78
BENBENZAMIDINEA,B,C,D,E,F3DP30.78
BENBENZAMIDINEA,B,C,D,E,F2GLM0.78
BENBENZAMIDINEA1ANB0.78
BENBENZAMIDINEA1LO60.78
BENBENZAMIDINEA1LR40.78
BENBENZAMIDINEA,B1V1M0.78
BENBENZAMIDINEA1ZHP0.78
BENBENZAMIDINEA2J9N0.78
BENBENZAMIDINEA2BMV0.78
BENBENZAMIDINEA,B2CKS0.78
BENBENZAMIDINEA2BLW0.78
BENBENZAMIDINEA1J160.78
BENBENZAMIDINEA,B1V110.78
BENBENZAMIDINEA,B,C,D,E,F3DP00.78
BENBENZAMIDINEB1RTF0.78
BENBENZAMIDINEA,B,C,D,E,F3DP10.78
BENBENZAMIDINEA,B,C,D2E580.78
BENBENZAMIDINEA2TRM0.78
BENBENZAMIDINET1V2V0.78
BENBENZAMIDINEA1MBQ0.78
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.78
BENBENZAMIDINEA2O8U0.78
BENBENZAMIDINEH1DWB0.78
BENBENZAMIDINEB,C2ASS0.78
BENBENZAMIDINEA1ANE0.78
BENBENZAMIDINEH,I2ZIQ0.78
BENBENZAMIDINEA1BIT0.78
BENBENZAMIDINEA2AIQ0.78
BENBENZAMIDINEA2OQ50.78
BENBENZAMIDINEA1ANC0.78
BENBENZAMIDINEH1JBU0.78
BENBENZAMIDINEA,B2BPQ0.78
BENBENZAMIDINEA,B,C,D2GNN0.78
BENBENZAMIDINET1V2S0.78
BENBENZAMIDINEA1H4W0.78
BENBENZAMIDINEA1OSS0.78
BENBENZAMIDINEA1W800.78
BENBENZAMIDINEA1BTY0.78
BENBENZAMIDINEH,I2ZFQ0.78
BENBENZAMIDINEA1EAX0.78
BENBENZAMIDINEA1L2E0.78
BENBENZAMIDINEA1WRI0.78
BENBENZAMIDINEA,B3BB80.78
BENBENZAMIDINEA2OXS0.78
BENBENZAMIDINEA1DPO0.78
BENBENZAMIDINET1V2L0.78
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZHD0.72
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHW0.72
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZFS0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.85
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.85
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.85
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.7
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.71
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.73
271N-methyl-1-phenylmethanamineX2RBT0.76
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDN0.7
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZHF0.7
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHE0.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.74
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.73
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.73
BAMBENZAMIDINEU1F5K0.78
BAMBENZAMIDINEX2BY80.78
BAMBENZAMIDINEB2PSM0.78
BAMBENZAMIDINEX2BY90.78
BAMBENZAMIDINEA1C1N0.78
BAMBENZAMIDINEX2BY60.78
BAMBENZAMIDINEH,I1C5O0.78
BAMBENZAMIDINEA1XX40.78
BAMBENZAMIDINEA1HJ80.78
BAMBENZAMIDINEA1C5P0.78
BAMBENZAMIDINEB1C5Z0.78
BAMBENZAMIDINEA,B1ZVW0.78
BAMBENZAMIDINEA2ANW0.78
BAMBENZAMIDINEA2ANY0.78
BAMBENZAMIDINEX2BYA0.78
BAMBENZAMIDINEA1TIO0.78
BAMBENZAMIDINEX2BY50.78
BAMBENZAMIDINEX2BY70.78
PBZP-AMINO BENZAMIDINEA,B2BDG0.71
PBZP-AMINO BENZAMIDINEA1RFN0.71
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.71
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.71
PBZP-AMINO BENZAMIDINEA1FIZ0.71
PBZP-AMINO BENZAMIDINEA1FIW0.71
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.71
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.73
A21(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-
5-methyl-5-(trifluoromethyl)-1,3-
thiazol-4(5H)-one
A,B,C,D3BZU0.72
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.71
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.7
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.72
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.72
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.74
L134-AMINO-5-(2-METHYLPHENYL)-2,4-
DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
A2HB90.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.79
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.73