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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02318418

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,I2ZNK0.77
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.89
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.89
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.89
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
PBZP-AMINO BENZAMIDINEA,B2BDG0.72
PBZP-AMINO BENZAMIDINEA1RFN0.72
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.72
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.72
PBZP-AMINO BENZAMIDINEA1FIZ0.72
PBZP-AMINO BENZAMIDINEA1FIW0.72
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.72
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDN0.73
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZHF0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHE0.74
271N-methyl-1-phenylmethanamineX2RBT0.8
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.76
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.76
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.74
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.74
BAMBENZAMIDINEU1F5K0.8
BAMBENZAMIDINEX2BY80.8
BAMBENZAMIDINEB2PSM0.8
BAMBENZAMIDINEX2BY90.8
BAMBENZAMIDINEA1C1N0.8
BAMBENZAMIDINEX2BY60.8
BAMBENZAMIDINEH,I1C5O0.8
BAMBENZAMIDINEA1XX40.8
BAMBENZAMIDINEA1HJ80.8
BAMBENZAMIDINEA1C5P0.8
BAMBENZAMIDINEB1C5Z0.8
BAMBENZAMIDINEA,B1ZVW0.8
BAMBENZAMIDINEA2ANW0.8
BAMBENZAMIDINEA2ANY0.8
BAMBENZAMIDINEX2BYA0.8
BAMBENZAMIDINEA1TIO0.8
BAMBENZAMIDINEX2BY50.8
BAMBENZAMIDINEX2BY70.8
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.7
PEA2-PHENYLETHYLAMINEA1TNJ0.7
PEA2-PHENYLETHYLAMINED,H2HKM0.7
PEA2-PHENYLETHYLAMINEA1UTO0.7
PEA2-PHENYLETHYLAMINEA,B1D6Y0.7
PEA2-PHENYLETHYLAMINEA,B1D6Z0.7
PEA2-PHENYLETHYLAMINEA,B1D6U0.7
PEA2-PHENYLETHYLAMINEA1UTM0.7
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.72
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZHD0.75
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHW0.75
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZFS0.75
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.76
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.73
DPKDEPRENYLA,B2BYB0.73
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.77
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.73
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.78
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.71
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.79
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.74
BENBENZAMIDINEA2TIO0.8
BENBENZAMIDINEA1J150.8
BENBENZAMIDINEA,B3BEU0.8
BENBENZAMIDINET1V2U0.8
BENBENZAMIDINEA,B,C,D,E,F3CF80.8
BENBENZAMIDINEA1S0R0.8
BENBENZAMIDINEA,B1V160.8
BENBENZAMIDINEA1CC70.8
BENBENZAMIDINEA3BG80.8
BENBENZAMIDINEA1CC80.8
BENBENZAMIDINEA3PTB0.8
BENBENZAMIDINEA,B1TRM0.8
BENBENZAMIDINEA1ZHR0.8
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.8
BENBENZAMIDINEA2BLV0.8
BENBENZAMIDINEA,B,C,D,E,F2GLP0.8
BENBENZAMIDINEH,I3D490.8
BENBENZAMIDINEH,L,T2AER0.8
BENBENZAMIDINEA1J140.8
BENBENZAMIDINEA1NSA0.8
BENBENZAMIDINEA2AYW0.8
BENBENZAMIDINEA1BRA0.8
BENBENZAMIDINEA,B,C,D1A0J0.8
BENBENZAMIDINEB,C,D2AST0.8
BENBENZAMIDINEA,B2CKR0.8
BENBENZAMIDINEA1LPU0.8
BENBENZAMIDINEA1ZHM0.8
BENBENZAMIDINEA1J8A0.8
BENBENZAMIDINEA,B3BCX0.8
BENBENZAMIDINEA,B,C,D,E,F3CF90.8
BENBENZAMIDINEA,B,C,D,E,F3D040.8
BENBENZAMIDINEA,B,C,D,E,F2GLL0.8
BENBENZAMIDINEA1AND0.8
BENBENZAMIDINEA2TBS0.8
BENBENZAMIDINEA,B,C,D,E,F3DP20.8
BENBENZAMIDINET1V2M0.8
BENBENZAMIDINEA2EEK0.8
BENBENZAMIDINEH,I2ZI20.8
BENBENZAMIDINET1V2J0.8
BENBENZAMIDINEH1KLI0.8
BENBENZAMIDINEA1CE50.8
BENBENZAMIDINEA,B,C,D,E,F3B7J0.8
BENBENZAMIDINEB,Y2PKA0.8
BENBENZAMIDINEA2VJ00.8
BENBENZAMIDINEA3B3J0.8
BENBENZAMIDINEA,B,C,D,E,F3DOY0.8
BENBENZAMIDINEA,B,C,D,E,F3DP30.8
BENBENZAMIDINEA,B,C,D,E,F2GLM0.8
BENBENZAMIDINEA1ANB0.8
BENBENZAMIDINEA1LO60.8
BENBENZAMIDINEA1LR40.8
BENBENZAMIDINEA,B1V1M0.8
BENBENZAMIDINEA1ZHP0.8
BENBENZAMIDINEA2J9N0.8
BENBENZAMIDINEA2BMV0.8
BENBENZAMIDINEA,B2CKS0.8
BENBENZAMIDINEA2BLW0.8
BENBENZAMIDINEA1J160.8
BENBENZAMIDINEA,B1V110.8
BENBENZAMIDINEA,B,C,D,E,F3DP00.8
BENBENZAMIDINEB1RTF0.8
BENBENZAMIDINEA,B,C,D,E,F3DP10.8
BENBENZAMIDINEA,B,C,D2E580.8
BENBENZAMIDINEA2TRM0.8
BENBENZAMIDINET1V2V0.8
BENBENZAMIDINEA1MBQ0.8
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.8
BENBENZAMIDINEA2O8U0.8
BENBENZAMIDINEH1DWB0.8
BENBENZAMIDINEB,C2ASS0.8
BENBENZAMIDINEA1ANE0.8
BENBENZAMIDINEH,I2ZIQ0.8
BENBENZAMIDINEA1BIT0.8
BENBENZAMIDINEA2AIQ0.8
BENBENZAMIDINEA2OQ50.8
BENBENZAMIDINEA1ANC0.8
BENBENZAMIDINEH1JBU0.8
BENBENZAMIDINEA,B2BPQ0.8
BENBENZAMIDINEA,B,C,D2GNN0.8
BENBENZAMIDINET1V2S0.8
BENBENZAMIDINEA1H4W0.8
BENBENZAMIDINEA1OSS0.8
BENBENZAMIDINEA1W800.8
BENBENZAMIDINEA1BTY0.8
BENBENZAMIDINEH,I2ZFQ0.8
BENBENZAMIDINEA1EAX0.8
BENBENZAMIDINEA1L2E0.8
BENBENZAMIDINEA1WRI0.8
BENBENZAMIDINEA,B3BB80.8
BENBENZAMIDINEA2OXS0.8
BENBENZAMIDINEA1DPO0.8
BENBENZAMIDINET1V2L0.8
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.72
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.72
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.79
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDK0.73
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZG00.73
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.78