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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004896

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
BENBENZAMIDINEA2TIO0.77
BENBENZAMIDINEA1J150.77
BENBENZAMIDINEA,B3BEU0.77
BENBENZAMIDINET1V2U0.77
BENBENZAMIDINEA,B,C,D,E,F3CF80.77
BENBENZAMIDINEA1S0R0.77
BENBENZAMIDINEA,B1V160.77
BENBENZAMIDINEA1CC70.77
BENBENZAMIDINEA3BG80.77
BENBENZAMIDINEA1CC80.77
BENBENZAMIDINEA3PTB0.77
BENBENZAMIDINEA,B1TRM0.77
BENBENZAMIDINEA1ZHR0.77
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.77
BENBENZAMIDINEA2BLV0.77
BENBENZAMIDINEA,B,C,D,E,F2GLP0.77
BENBENZAMIDINEH,I3D490.77
BENBENZAMIDINEH,L,T2AER0.77
BENBENZAMIDINEA1J140.77
BENBENZAMIDINEA1NSA0.77
BENBENZAMIDINEA2AYW0.77
BENBENZAMIDINEA1BRA0.77
BENBENZAMIDINEA,B,C,D1A0J0.77
BENBENZAMIDINEB,C,D2AST0.77
BENBENZAMIDINEA,B2CKR0.77
BENBENZAMIDINEA1LPU0.77
BENBENZAMIDINEA1ZHM0.77
BENBENZAMIDINEA1J8A0.77
BENBENZAMIDINEA,B3BCX0.77
BENBENZAMIDINEA,B,C,D,E,F3CF90.77
BENBENZAMIDINEA,B,C,D,E,F3D040.77
BENBENZAMIDINEA,B,C,D,E,F2GLL0.77
BENBENZAMIDINEA1AND0.77
BENBENZAMIDINEA2TBS0.77
BENBENZAMIDINEA,B,C,D,E,F3DP20.77
BENBENZAMIDINET1V2M0.77
BENBENZAMIDINEA2EEK0.77
BENBENZAMIDINEH,I2ZI20.77
BENBENZAMIDINET1V2J0.77
BENBENZAMIDINEH1KLI0.77
BENBENZAMIDINEA1CE50.77
BENBENZAMIDINEA,B,C,D,E,F3B7J0.77
BENBENZAMIDINEB,Y2PKA0.77
BENBENZAMIDINEA2VJ00.77
BENBENZAMIDINEA3B3J0.77
BENBENZAMIDINEA,B,C,D,E,F3DOY0.77
BENBENZAMIDINEA,B,C,D,E,F3DP30.77
BENBENZAMIDINEA,B,C,D,E,F2GLM0.77
BENBENZAMIDINEA1ANB0.77
BENBENZAMIDINEA1LO60.77
BENBENZAMIDINEA1LR40.77
BENBENZAMIDINEA,B1V1M0.77
BENBENZAMIDINEA1ZHP0.77
BENBENZAMIDINEA2J9N0.77
BENBENZAMIDINEA2BMV0.77
BENBENZAMIDINEA,B2CKS0.77
BENBENZAMIDINEA2BLW0.77
BENBENZAMIDINEA1J160.77
BENBENZAMIDINEA,B1V110.77
BENBENZAMIDINEA,B,C,D,E,F3DP00.77
BENBENZAMIDINEB1RTF0.77
BENBENZAMIDINEA,B,C,D,E,F3DP10.77
BENBENZAMIDINEA,B,C,D2E580.77
BENBENZAMIDINEA2TRM0.77
BENBENZAMIDINET1V2V0.77
BENBENZAMIDINEA1MBQ0.77
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.77
BENBENZAMIDINEA2O8U0.77
BENBENZAMIDINEH1DWB0.77
BENBENZAMIDINEB,C2ASS0.77
BENBENZAMIDINEA1ANE0.77
BENBENZAMIDINEH,I2ZIQ0.77
BENBENZAMIDINEA1BIT0.77
BENBENZAMIDINEA2AIQ0.77
BENBENZAMIDINEA2OQ50.77
BENBENZAMIDINEA1ANC0.77
BENBENZAMIDINEH1JBU0.77
BENBENZAMIDINEA,B2BPQ0.77
BENBENZAMIDINEA,B,C,D2GNN0.77
BENBENZAMIDINET1V2S0.77
BENBENZAMIDINEA1H4W0.77
BENBENZAMIDINEA1OSS0.77
BENBENZAMIDINEA1W800.77
BENBENZAMIDINEA1BTY0.77
BENBENZAMIDINEH,I2ZFQ0.77
BENBENZAMIDINEA1EAX0.77
BENBENZAMIDINEA1L2E0.77
BENBENZAMIDINEA1WRI0.77
BENBENZAMIDINEA,B3BB80.77
BENBENZAMIDINEA2OXS0.77
BENBENZAMIDINEA1DPO0.77
BENBENZAMIDINET1V2L0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.84
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.84
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.84
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.78
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.7
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.73
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.72
BAMBENZAMIDINEU1F5K0.77
BAMBENZAMIDINEX2BY80.77
BAMBENZAMIDINEB2PSM0.77
BAMBENZAMIDINEX2BY90.77
BAMBENZAMIDINEA1C1N0.77
BAMBENZAMIDINEX2BY60.77
BAMBENZAMIDINEH,I1C5O0.77
BAMBENZAMIDINEA1XX40.77
BAMBENZAMIDINEA1HJ80.77
BAMBENZAMIDINEA1C5P0.77
BAMBENZAMIDINEB1C5Z0.77
BAMBENZAMIDINEA,B1ZVW0.77
BAMBENZAMIDINEA2ANW0.77
BAMBENZAMIDINEA2ANY0.77
BAMBENZAMIDINEX2BYA0.77
BAMBENZAMIDINEA1TIO0.77
BAMBENZAMIDINEX2BY50.77
BAMBENZAMIDINEX2BY70.77
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.73
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.73
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.73
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZHD0.71
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHW0.71
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZFS0.71
A21(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-
5-methyl-5-(trifluoromethyl)-1,3-
thiazol-4(5H)-one
A,B,C,D3BZU0.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.7
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.72
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHE0.71
271N-methyl-1-phenylmethanamineX2RBT0.77
L134-AMINO-5-(2-METHYLPHENYL)-2,4-
DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
A2HB90.71
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.73
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.72
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71